2-异丙基萘 | 2027-17-0

• 物质功能分类: 化学试剂 - 有机试剂 - 多环化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 2-异丙基萘
• 英文名称: 2-Isopropylnaphthalene
• 英文别名: 2-Isopropyl-naphthalin；β-Isopropylnaphthalin；β-isopropylnaphthalene；2-(1-methylethyl)naphthalene；2-propan-2-ylnaphthalene
• CAS: 2027-17-0
• 化学式: C₁₃H₁₄
• mdl: MFCD00014322
• 分子量: 170.254
• InChiKey: TVYVQNHYIHAJTD-UHFFFAOYSA-N

物化性质

• 熔点：
  14°C
• 沸点：
  261-263°C
• 密度：
  0,9753 g/cm3
• 闪点：
  268°C
• 溶解度：
  氯仿（微溶）、乙酸乙酯（微溶）
• 颜色/状态：
  Clear, yellowish-brown liquid
• 气味：
  Faint sweet odor
• 蒸汽压力：
  5.18X10-3 mm Hg @ 25 °C
• 自燃温度：
  475 °C
• 分解：
  When heated to decomposition it emits acrid smoke and irritating vapors.
• 汽化热：
  13,036.9 g cal/g mole
• 折光率：
  Indx of refraction: 1.5848 @ 20 °C
• 保留指数：
  1442;1435;1423.1;1426.1;1431.4;1435.3;1446;1480.6;1422
• 稳定性/保质期：
  1. 如果按照规定使用和储存，则不会发生分解，没有已知的危险反应，请避免与氧化物接触。 2. 它存在于香料烟的烟叶中。

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

ADMET

代谢

2-异丙基萘在大鼠体内的代谢通过分子的异丙基链的氧化进行。从尿液中分离并鉴定出了四种未结合的代谢物：2-(2-萘基)丙酸、2-(2-萘基)-2-丙醇、2-(2-萘基)-1,2-丙二醇和2-(2-萘基)-2-羟基丙酸，以及少量的未改变的化合物。

Metabolism of 2-isopropylnaphthalene in rats proceeded through oxidation of isopropyl chain of the molecule. Four unconjugated metabolites were isolated from urine and identified: 2-(2-naphthyl)propionic acid, 2-(2-naphthyl)-2-propanol, 2-(2-naphthyl)-1,2-propanediol and 2-(2-naphthyl)-2-hydroxypropionic acid, together with a small amount of unchanged compound.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

基本治疗：建立专利气道。如有必要，进行吸痰。观察呼吸不足的迹象，如有必要，进行辅助通气。通过非重复呼吸面罩以10至15升/分钟的速度给予氧气。监测休克并视需要进行治疗……预见并治疗癫痫发作……对于眼睛污染，立即用水冲洗眼睛。在转运过程中，用生理盐水连续冲洗每只眼睛……不要使用催吐剂。对于摄入，如果患者能吞咽，有强烈的干呕反射，且不流口水，则用水冲洗口腔，并给予5毫升/千克，最多200毫升的水进行稀释。给予活性炭…… /萘及其相关化合物/

Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool. Administer activated charcoal ... . /Naphthalene and Related Compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

高级治疗：对于无意识的病人，考虑进行口对口或鼻对鼻气管插管以控制气道。开始静脉注射乳酸钠林格氏液。必须保持充足的水化，以防止由于肌红蛋白尿导致的肾衰竭，除非出现脑或肺水肿的迹象。对于伴有低血容量迹象的低血压，要谨慎给予液体。密切观察液体过载的迹象……如果病人在严重低氧血症、发绀和心脏功能不全且对氧疗无反应时出现症状，给予1%亚甲基蓝溶液……。用安定治疗癫痫……。使用丙美卡因氢氯化物来协助眼部冲洗……。/萘及其相关化合物/

Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious. Start an IV with lactated Ringer's. Adequate hydration must be maintained to prevent renal failure secondary to myoglobinuria unless signs of cerebral or pulmonary edema are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Administer 1% solution methylene blue if patient is symptomatic with severe hypoxia, cyanosis, and cardiac compromise not responding to oxygen. ... . Treat seizures with diazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Naphthalene and related compounds/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

保持呼吸道畅通，必要时协助通风。如果出现昏迷和癫痫，予以治疗。如果发生溶血和随之而来的血红蛋白尿，通过静脉输液和尿液碱化进行治疗。没有特定的解毒剂。如果有的话，给予活性炭。不要催吐，因为存在引起嗜睡和癫痫的风险。不要给予牛奶、脂肪或油类，因为这些可能增强吸收/萘/。

Maintain an open air way and assist ventilation if necessary. Treat coma and seizures if they occur. Treat hemolysis and resulting hemoglobinuria if they occur by intravenous hydration and urinary alkalinization. There is no specific antidote. Administer activated charcoal if available. Do not induce vomiting, because of the risk of lethargy and seizures. Do not administer milk, fats or oils, which may enhance absorption /Naphthalene/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 解毒与急救

萘中毒，由吸入蒸汽引起，通常可以通过将个体移至新鲜空气来简单处理。皮肤污染应立即用肥皂和水清洗。眼睛污染应通过大量清水冲洗去除。刺激可能很严重，如果持续存在，应接受医疗注意。标准应急程序：/可能有助于清空胃部并给予活性炭剂量/ 检查血浆中是否有溶血的迹象：呈红棕色调。检查血涂片是否有“幽灵”和海因茨小体。如果/存在溶血/，监测红细胞计数和血红蛋白浓度以评估贫血，尿液中的蛋白质和细胞。测量血浆中的直接和间接反应胆红素。监测液体平衡和血液电解质。如果可能，监测尿液中萘酚的排泄，以评估中毒的严重程度和临床进展。如果溶血在临床上具有重要意义，给予静脉输液以加速萘酚代谢物的尿液排泄并保护肾脏免受溶血产物的损害。使用乳酸林格液或碳酸氢钠保持尿液pH在7.5以上。考虑使用甘露醇或呋塞米以促进利尿。如果尿量减少，必须仔细监测静脉输液以避免液体过载。进行血液透析。考虑同时使用活性炭血液灌注以提取萘和最终产品。如果贫血严重，可能需要输血。如果存在显著溶血，氢化可的松可能有一定的好处。/熏蒸剂中毒/

NAPHTHALENE toxicosis caused by vapor inhalation can usually be managed simply by removing the individual to fresh air. Skin contamination should be removed promptly by washing with soap and water. Eye contamination should be removed by flushing with copious amounts of clear water. Irritation may be severe, and if it persists, should receive medical attention. SRP: /It may be helpful to empty stomach and administer dose of activated charcoal/ Examine the plasma for evidence of hemolysis: a reddish-brown tinge. Examine the blood smear for "ghosts" and Heinz bodies. If /hemolysis is/ present, monitor red blood cell count and hematocrit for anemia, urine for protein, and cells. Measure direct- and indirect-reacting bilirubin in the plasma. Monitor fluid balance and blood electrolytes. If possible, monitor urinary excretion of naphthol to assess severity of poisoning and clinical progress. If hemolysis is clinically significnt, administer intravenous fluids to accelerate urinary excretion of the naphthol metabolite and protect the kidney from products of hemolysis. Use Ringer's-lactate or sodium bicarbonate to keep urine pH above 7.5. Consider use of mannitol, or furosemide, to promote diuresis. If urine flow declines, intravenous infusions must be carefully monitored to avoid fluid overload. Institute hemodialysis. Consider charcoal hemoperfusion in tandem to extract naphthalene and end-products. If anemia is severe, blood transfusions may be needed. Hydrocortisone may be of some benefit if significant hemolysis is present. /Fumigant poisoning/

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

实验动物：急性暴露/研究了2-异丙基萘（2-IPN）及其光产物的肺毒性。在腹腔注射2-IPN或其光产物24小时后，2-异丙基萘（2-IPeN）（1000毫克/千克），2-乙酰萘（2-AN）（700毫克/千克），β-萘酚（BN）（50毫克/千克），酞（PH）（500毫克/千克）和邻苯二甲酸（PA）（100毫克/千克）均可引起肺损伤，但2-IPN（3000毫克/千克）和2-(2-萘基)-2-丙醇（2-NP）（100毫克/千克）并未引起肺损伤。2-IPN在肺、肝和肾中的最大浓度出现在给药后6小时，随后随着时间的推移浓度降低。2-IPeN、2-NP、2-AN、BN、PH和PA在组织中的浓度在1或2小时内达到最大值，然后迅速随时间降低。2-AN和BN与肺切片的结合大于其他化合物。注射2-IPN、2-IPeN、BN和PH会导致肺GSH（还原型谷胱甘肽）的大量消耗。

/LABORATORY ANIMALS: Acute Exposure/ Pulmonary toxicity of 2-isopropylnaphthalene (2-IPN) and its photoproducts was studied in mice. Twenty-four hr after the intraperitoneal injection of 2-IPN or its photoproducts, 2-isopropenylnaphthalene (2-IPeN) (1000 mg/kg), 2-acetonaphthone (2-AN) (700 mg/kg), beta-naphthol (BN) (50 mg/kg), phthalide (PH) (500 mg/kg) and phthalic acid (PA) (100 mg/kg) produced pulmonary damage, but 2-IPN (3000 mg/kg) and 2-(2-naphthyl)-2-propanol (2-NP) (100 mg/kg) did not produce pulmonary damage. The maximum levels of 2-IPN in the lung, liver and kidney were observed 6 hr after the administration, and then the levels decreased with time. The concentrations of 2-IPeN, 2-NP, 2-AN, BN, PH and PA in the tissues, reached the maximum levels within 1 or 2 hr, and then rapidly decreased with time. The binding of both 2-AN and BN to lung slices was greater than that of other compounds. The injections of 2-IPN, 2-IPeN, BN and PH caused considerable depletion of pulmonary GSH (reduced glutathione).

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

2-异丙基萘（2-IPN）及其光产物的肺毒性在小鼠中进行了研究。在腹腔注射2-IPN或其光产物24小时后，2-异丙基萘（2-IPeN）（1000毫克/千克），2-乙酰萘酮（2-AN）（700毫克/千克），β-萘酚（BN）（50毫克/千克），酞（PH）（500毫克/千克）和邻苯二甲酸（PA）（100毫克/千克）均可引起肺损伤，但2-IPN（3000毫克/千克）和2-(2-萘基)-2-丙醇（2-NP）（100毫克/千克）并未引起肺损伤。肺、肝和肾中2-IPN的最大浓度在给药后6小时观察到，随后随时间减少。2-IPeN、2-NP、2-AN、BN、PH和PA在组织中的浓度在1或2小时内达到最大值，然后随时间迅速减少。2-AN和BN与肺切片的结合大于其他化合物。2-IPN、2-IPeN、BN和PH的注射导致肺中还原型谷胱甘肽（GSH）的显著耗竭。

Pulmonary toxicity of 2-isopropylnaphthalene (2-IPN) and its photoproducts was studied in mice. Twenty-four hours after the intraperitoneal injection of 2-IPN or its photoproducts, 2-isopropenylnaphthalene (2-IPeN) (1000 mg/kg), 2-acetonaphthone (2-AN) (700 mg/kg), beta-naphthol (BN) (50 mg/kg), phthalide (PH) (500 mg/kg) and phthalic acid (PA) (100 mg/kg) produced pulmonary damage, but 2-IPN (3000 mg/kg) and 2-(2-naphthyl)-2-propanol (2-NP) (100 mg/kg) did not produce pulmonary damage. The maximum levels of 2-IPN in the lung, liver and kidney were observed 6 h after the administration, and then the levels decreased with time. The concentrations of 2-IPeN, 2-NP, 2-AN, BN, PH and PA in the tissues, reached the maximum levels within 1 or 2 hr, and then rapidly decreased with time. The binding of both 2-AN and BN to lung slices was greater than that of other compounds. The injections of 2-IPN, 2-IPeN, BN and PH caused considerable depletion of pulmonary GSH (reduced glutathione).

来源:Hazardous Substances Data Bank (HSDB)

吸收、分配和排泄

在大鼠中，超过95%的口服2-异丙基萘在24小时内从胃肠道被吸收。血液、肝脏、肾脏、大脑、心脏、脾脏和肌肉中的峰值浓度在2小时观察到，而在脂肪组织和皮肤中的峰值浓度在4-6小时观察到。尿液中未改变的2-异丙基萘的量很小。在连续14或28天喂食含有0.1%的实验饮食的大鼠中，停止持续摄入后24小时内，脂肪组织中的2-异丙基萘减少到了1/3。

Over 95% of orally admin 2-isopropylnaphthalene was absorbed within 24 hr from the GI tract in rats. Peak levels in the blood, liver, kidneys, brain, heart, spleen, and muscle were observed at 2 hr, whereas peak levels in the adipose tissue and skin were observed at 4-6 hr. Amount of unchanged 2-isopropylnaphthalene in urine was small. In rats fed the experimental diet containing 0.1% for 14 or 28 days, 2-isopropylnaphthalene in the adipose tissue decreased to 1/3 within 24 hr after halting continuous ingestion.

来源:Hazardous Substances Data Bank (HSDB)

安全信息

• TSCA：
  Yes
• RTECS号：
  QJ8000000
• 海关编码：
  2902909090
• 储存条件：
  请将贮藏器密封保存，并将其存放在阴凉、干燥处。确保工作环境有良好的通风或排气设施。

SDS

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Section I.Chemical Product and Company Identification
Chemical Name 2-Isopropylnaphthalene (beta-)
Portland OR
Synonym Not available.
Chemical Formula C10H7CH(CH3)2
CAS Number 2027-17-0

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Section II. Composition and Information on Ingredients
Chemical Name CAS Number Percent (%) TLV/PEL Toxicology Data
2-Isopropylnaphthalene (beta-) 2027-17-0 Min. 94.0 Not available. Mouse LD50 (oral) 5300 mg/kg
(GC)

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Section III. Hazards Identification
Acute Health Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
CARCINOGENIC EFFECTS : Not available.
Chronic Health Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
Toxicity to the reproductive system: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Eye Contact Check for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum
of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
supportively.
Skin Contact If the chemical gets spilled on a clothed portion of the body, remove the contaminated clothes as quickly as possible,
protecting your own hands and body. Place the victim under a deluge shower. If the chemical touches the victim's
exposed skin, such as the hands: Gently and thoroughly wash the contaminated skin with running water and non-abrasive
soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the irritated skin with an emollient. Seek
medical attention. Treat symptomatically and supportively. Wash any contaminated clothing before reusing.
Inhalation If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If
breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
Remove dentures if any. Have conscious person drink several glasses of water or milk. INDUCE VOMITING by sticking
Ingestion
finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. NEVER give an unconscious
person anything to ingest. Seek medical attention. Treat symptomatically and supportively.

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Section V. Fire and Explosion Data
Not available.
Flammability Combustible. Auto-Ignition
Flammable Limits
Flash Points Not available.
122°C (251.6°F)
Combustion Products These products are toxic carbon oxides (CO, CO 2).
Fire Hazards
No specific information is available regarding the flammability of this compound in the presence of various materials.
Explosion Hazards Risks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
No additional information is available regarding the risks of explosion.
Fire Fighting Media
SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
and Instructions
Continued on Next Page
2-Isopropylnaphthalene (beta-)

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Section VI. Accidental Release Measures
Spill Cleanup Combustible material.
Instructions Keep away from heat and sources of ignition. Mechanical exhaust required. Stop leak if without risk. Finish cleaning the
spill by rinsing any contaminated surfaces with copious amounts of water.

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Section VII. Handling and Storage
Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the container
Handling and Storage
and store in a dry, cool place. Avoid excessive heat and light. Do not breathe gas, fumes, vapor or spray. In case of
Information
insufficient ventilation, wear suitable respiratory equipment. If you feel unwell, seek medical attention and show the label
when possible. Treat symptomatically and supportively. Avoid contact with skin and eyes.
Always store away from incompatible compounds such as oxidizing agents.

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Section VIII. Exposure Controls/Personal Protection
Engineering Controls Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their
respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
Personal Protection Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid
inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
this product.
Exposure Limits Not available.

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Section IX. Physical and Chemical Properties
Physical state @ 20°C Clear, yellowish-brown liquid. Solubility
Insoluble in cold water, hot water.
0.973 (water=1)
Specific Gravity
Molecular Weight 170.25 Partition Coefficient
log Kow = 4.89
Boiling Point 268°C (514.4°F) Vapor Pressure 100 mm of Hg (@ 188.8°C)
Melting Point -16°C (3.2°F) Vapor Density Not available.
Not available. 100% (v/v).
Refractive Index Volatility
Critical Temperature Not available. Odor Sweetish. (Slight.)
Viscosity Not available. Taste Not available.

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Section X. Stability and Reactivity Data
Stability

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability
Avoid excessive heat and light.
Incompatibilities
Reactive with strong oxidizing agents.

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Section XI. Toxicological Information
RTECS Number QJ8000000
Routes of Exposure Ingestion. Inhalation.
Mouse LD50 (oral) 5300 mg/kg
Toxicity Data
CARCINOGENIC EFFECTS : Not available.
Chronic Toxic Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
Toxicity to the reproductive system: Not available.
There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
known to aggravate existing medical conditions.
Acute Toxic Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Continued on Next Page
2-Isopropylnaphthalene (beta-)

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Section XII. Ecological Information
Ecotoxicity Not available.
2-Isopropylnaphthalene is a component of crude oil and a product of combustion which is produced and released to the
Environmental Fate
environment during natural fires. Emissions from petroleum refining, coal tar distillation, and gasoline and diesel fueled
engines are contributors of 2-isopropylnaphthalene to the environment. 2-Isopropylnaphthalene is also used as chemical
intermediate and a general solvent. Consequently, 2-isopropylnaphthalene is released to the environment via
manufacturing effluents. 2-Isopropylnaphthalene is also released to the environment by municipal waste incinerators.
2-Isopropylnaphthalene should biodegrade in the environment. However, hydrolysis of 2-isopropylnaphthalene should not
be important. In sunlit environmental media, 2-isopropylnaphthalene will undergo direct photolysis. 2-Isopropylnaphthalene
is expected to be slightly mobile to immobile in soil. 2-Isopropylnaphthalene has the potential to bioconcentrate in aquatic
organisms. 2-Isopropylnaphthalene may also partition from the water column to organic matter contained in sediments
and suspended solids. Volatilization of 2-isopropylnaphthalene from environmental waters may be important. The
volatilization half-lives from a model river and a model pond, the latter considers the effect of adsorption, have been
estimated to be 5.2 hr and 93.6 days, respectively. 2-Isopropylnaphthalene is expected to exist entirely in the vapor phase
in ambient air. In the atmosphere, reaction with photochemically produced hydroxyl radicals (half-life of 6.6 hr) is likely to
be important. The most probable human exposure would be occupational exposure, which may occur through dermal
contact or inhalation at places were 2-isopropylnaphthalene is produced or used. Non-occupational exposures would most
likely occur via urban atmospheres, contaminated drinking water supplies and recreational activities at contaminated
waterways. (Excerpted from HSDB, 1996)

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Section XIII. Disposal Considerations
Waste Disposal Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state, and local regulations when disposing of this substance.

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Section XIV. Transport Information
DOT Classification Not a DOT controlled material (United States).
PIN Number NONE
Proper Shipping Name NONE
Packing Group (PG) NONE
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This product is ON the EPA Toxic Substances Control Act (TSCA) inventory.
(EPA)
WHMIS Classification Not controlled under WHMIS (Canada).
(Canada)
EINECS Number (EEC) Not available.
EEC Risk Statements
Not available.
2-Isopropylnaphthalene (beta-)
TCI laboratory chemicals are for research purposes only and are NOT intended for use as drugs, food additives, households, or pesticides. The information herein is believed to be correct, but does not
claim to be all inclusive and should be used only as a guide. Neither the above named supplier nor any of its subsidiaries assumes any liability whatsoever for the accuracy or completeness of the
information contained herein. Final determination of suitability of any material is the sole responsibility of the user. All chemical reagents must be handled with the recognition that their chemical,
physiological, toxicological, and hazardous properties have not been fully investigated or determined. All chemical reagents should be handled only by individuals who are familiar with their potential
hazards and who have been fully trained in proper safety, laboratory, and chemical handling procedures. Although certain hazards are described herein, we can not guarantee that these are the only hazards
which exist. Our MSDS sheets are based only on data available at the time of shipping and are subject to change without notice as new information is obtained. Avoid long storage periods since the
product is subject to degradation with age and may become more dangerous or hazardous. It is the responsibility of the user to request updated MSDS sheets for products that are stored for extended
periods. Disposal of unused product must be undertaken by qualified personnel who are knowledgeable in all applicable regulations and follow all pertinent safety precautions including the use of
appropriate protective equipment (e.g. protective goggles, protective clothing, breathing equipment, facial mask, fume hood). For proper handling and disposal, always comply with federal, state, and local
regulations.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

合成制备方法

1. 烟草：OR，57。

反应信息

• 作为反应物：
  描述：

  2-异丙基萘 在 二叔丁基过氧化物 、 sodium acetate 作用下， 反应 24.0h， 以73%的产率得到2,2'-(2,3-dimethylbutane-2,3-diyl)dinaphthalene
  参考文献：
  名称：

  还原性氧化石墨烯负载的PtPd @ Pt多孔纳米球催化的非偶合基团sp3 C–H活化，通过均相偶合合成联苄。

  摘要：

  很少探索使用非均相双金属钯基纳米催化剂指导失活的sp 3 C-H偶联。这项工作报道了通过使用还原性氧化石墨烯负载的PtPd @ Pt多孔纳米球催化的灭活的sp 3 C-H键形成对称的C-C键。sp 3 C H活化反应在温和条件下进行，没有任何溶剂，配体或指导基团。在合成具有各种官能团（例如芳基，烷基，甲氧基，卤素，酯和吡啶基）的联苄中，开发多相催化剂是一种更高的原子，步骤和成本效益策略。

  DOI：

  10.1002/adsc.201701389
• 作为产物：
  描述：

  4-(4-异丙基苯基)丁酸 在 乙醇 、 硫酸 、 copper(II) sulfide 、 sulfur 、 铂 作用下， 生成 2-异丙基萘
  参考文献：
  名称：

  Keimatsu; Ishiguro; Sumi, Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1936, vol. 56, p. 588,593; dtsch. Ref. S. 119

  摘要：

  DOI：

文献信息

• Ambient Hydrogenation and Deuteration of Alkenes Using a Nanostructured Ni‐Core–Shell Catalyst
  作者：Jie Gao、Rui Ma、Lu Feng、Yuefeng Liu、Ralf Jackstell、Rajenahally V. Jagadeesh、Matthias Beller

  DOI：10.1002/anie.202105492

  日期：2021.8.16

  selective hydrogenation and deuteration of a variety of alkenes is presented. Key to success for these reactions is the use of a specific nickel-graphitic shell-based core–shell-structured catalyst, which is conveniently prepared by impregnation and subsequent calcination of nickel nitrate on carbon at 450 °C under argon. Applying this nanostructured catalyst, both terminal and internal alkenes, which

  提出了各种烯烃的选择性氢化和氘化的通用方案。这些反应成功的关键是使用特定的镍-石墨壳基核壳结构催化剂，该催化剂可以通过浸渍碳上的硝酸镍并随后在氩气下于 450 °C 下煅烧来方便地制备。应用这种纳米结构催化剂，具有工业和商业重要性的末端烯烃和内部烯烃在环境条件下（室温，使用1巴氢气或1巴氘）进行选择性氢化和氘化，从而获得相应的烷烃和氘。标记烷烃的收率良好至极好。通过克级反应以及高效的催化剂回收实验证明了这种镍基加氢方案的合成效用和实用性。
• Reductive Activation and Hydrofunctionalization of Olefins by Multiphoton Tandem Photoredox Catalysis
  作者：Milena L. Czyz、Mitchell S. Taylor、Tyra H. Horngren、Anastasios Polyzos

  DOI：10.1021/acscatal.1c01000

  日期：2021.5.7

  of olefin feedstocks to architecturally complex alkanes represents an important strategy in the expedient generation of valuable molecules for the chemical and life sciences. Synthetic approaches are reliant on the electrophilic activation of unactivated olefins, necessitating functionalization with nucleophiles. However, the reductive functionalization of unactivated and less activated olefins with

  烯烃原料向结构复杂的烷烃的转化代表了重要的策略，可快速生成化学和生命科学领域有价值的分子。合成方法依赖于未活化烯烃的亲电子活化，因此必须用亲核试剂进行官能化。然而，用亲电子试剂将未活化的和活化程度较低的烯烃还原功能化仍然是合成化学中的一个持续挑战。在这里，我们报告通过光诱导直接单电子还原为相应的亲核自由基阴离子的惰性苯乙烯的亲核活化。该方法的核心是铱光催化剂[Ir（ppy）2（dtb-bpy）] PF 6的多光子串联光氧化还原循环，该循环触发原位形成高能光还原剂，该光还原剂可选择性地将苯乙烯烯烃π键还原为自由基阴离子，而无需化学计量的还原剂或溶解金属。这种温和的策略可以实现苯乙烯的化学选择性还原和加氢官能化，从而提供有价值的烷烃和叔醇衍生物。机理研究支持苯乙烯烯烃自由基阴离子中间体的形成和涉及两个连续单电子转移的Birch型还原。总体而言，这种烯烃活化的互补方式可实现低亲和度的烯烃与亲电试
• Friedel-Crafts Alkylation and Acylation in the Absence of Solvent
  作者：M. Ghiaci、J. Asghari

  DOI：10.1080/00397919808007036

  日期：1998.6

  Abstract A short and efficient synthetic route, for alkylation and acylation of aromatic compounds in the absence of solvent is developed. According to the reaction system and conditions used, different alkyl-, and acyl arenes are obtained in moderate to good yields. The structures are assigned by 1H and 13C NMR spectroscopy.

  摘要 开发了一种在无溶剂条件下对芳香族化合物进行烷基化和酰化的短而有效的合成路线。根据所用的反应体系和条件，不同的烷基芳烃和酰基芳烃可以以中等至良好的收率获得。结构由 1H 和 13C NMR 光谱确定。
• [EN] CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE LA CÉRAMIDE GALACTOSYLTRANSFÉRASE POUR LE TRAITEMENT DE MALADIES
  申请人：BIOMARIN PHARM INC

  公开号：WO2018118838A1

  公开（公告）日：2018-06-28

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with the enzyme ceramide galactosyltransferase (CGT), such as, for example, lysosomal storage diseases. Examples of lysosomal storage diseases include, for example, Krabbe disease and Metachromatic Leukodystrophy.

  本文描述了化合物、制备这种化合物的方法、含有这种化合物的药物组合物和药物，以及使用这种化合物治疗或预防与酶神经鞘糖脂转移酶（CGT）相关的疾病或紊乱的方法，例如溶酶体贮积症。溶酶体贮积症的例子包括 Krabbe 病和白质变性白血病。
• Chemoselective Deoxygenation of 2° Benzylic Alcohols through a Sequence of Formylation and B(C ₆ F ₅ ) ₃ ‐Catalyzed Reduction
  作者：Sven C. Richter、Martin Oestreich

  DOI：10.1002/ejoc.202100148

  日期：2021.4.15

  A sequence of formylation and B(C6F5)3‐catalyzed reduction of the resulting formate with Et3SiH enables the chemoselective deoxygenation of secondary (2°) benzylic in the presence of primary (1°) benzylic and tertiary (3°) non‐benzylic alcohols. Both steps are chemoselective with the formylation favoring 1° and 2° over 3° and the reduction favoring 2° over 1° (Ar=aryl, Alk=alkyl).

  一系列的甲酰化反应和B（C 6 F 5）3催化的Et 3 SiH还原生成的甲酸使得在存在伯（1°）苄基和叔（3°）的情况下仲（2°）苄基的化学选择性脱氧成为可能）非苄醇。这两个步骤都是化学选择性的，其中甲酰化相对于3°有利于1°和2°，而还原相对于1°有利于2°（Ar ＝芳基，Alk ＝烷基）。

表征谱图