2-(4-氯苯基)-2-甲基丙甲腈 | 24889-11-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 2-(4-氯苯基)-2-甲基丙甲腈
• 中文别名: 2-(4-氯苯氧基)-2-甲基丙腈
• 英文名称: 2-(4-chlorophenoxy)-2-methylpropanenitrile
• 英文别名: 2-(p-chloro-phenoxy)-2-methyl-propionitrile
• CAS: 24889-11-0
• 化学式: C₁₀H₁₀ClNO
• mdl: MFCD00203862
• 分子量: 195.648
• InChiKey: JENFRDUXBGWJGH-UHFFFAOYSA-N

物化性质

• 沸点：
  142 °C
• 密度：
  1.162±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2926909090

SDS

Name:	2-(4-Chlorophenoxy)-2-methylpropanenitrile 97% Material Safety Data Sheet
Synonym:
CAS:	24889-11-0

Section 1 - Chemical Product MSDS Name:2-(4-Chlorophenoxy)-2-methylpropanenitrile 97% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
24889-11-0	2-(4-Chlorophenoxy)-2-methylpropanenit	97%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 24889-11-0: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 142 - 144 deg C @15mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H10ClNO
Molecular Weight: 196

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Acids, bases, strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 24889-11-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-(4-Chlorophenoxy)-2-methylpropanenitrile - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: NITRILES, LIQUID, TOXIC, N.O.S.*
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
IMO
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing Group: III
RID/ADR
Shipping Name: NITRILES, TOXIC, N.O.S.
Hazard Class: 6.1
UN Number: 3276
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 24889-11-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 24889-11-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24889-11-0 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(4-氯苯基)-2-甲基丙甲腈 、 2-氨基-2-甲基-1-丙醇 在 zinc diacetate 作用下， 以 氯仿 为溶剂， 以88%的产率得到2-[1-(4-chloro-phenoxy)-1-methyl-ethyl]-4,4-dimethyl-4,5-dihydro-oxazole
  参考文献：
  名称：

  2-Oxazoline derivatives

  摘要：

  本发明涉及通式##SPC1##的化合物，其中R1是氢或具有1-4个碳原子的烷基；R2和R3是氢，如果R4和R5都是氢，则R2和R3是具有1-4个碳原子的烷基或羟甲基；R4和R5是氢，但如果R2和R3都是氢，则R4和R5代表具有1-4个碳原子的烷基，是氨基，其可以被具有1-4个碳原子的烷基单或双取代，或者是烯丙氧甲基；X是一个氧或硫原子或一个NH基团；Y代表一个卤素原子或一个卤代苯基。本发明还涉及制备此类化合物的方法。

  公开号：

  US03979405A1
• 作为产物：
  描述：

  氯贝酸 、 4-(甲基磺酰基)苄胺盐酸盐 在 riboflavin-2',3',4',5'-tetra-acetate 作用下， 以 乙腈 为溶剂， 反应 12.0h， 以40%的产率得到2-(4-氯苯基)-2-甲基丙甲腈
  参考文献：
  名称：

  可见光黄素光催化脂肪族羧酸的脱羧氰化反应

  摘要：

  公开了在室温下用于脂族羧酸的脱羧氰化的操作简单的方法。核黄素四乙酸酯是一种廉价的有机光催化剂，可在可见光激活时促进羧酸的氧化。脱羧后，在氧化还原中性过程中，生成的自由基被TsCN捕获，得到所需的腈，而无需任何其他添加剂。重要的是，该协议可以适应流量条件。

  DOI：

  10.1021/acs.orglett.9b00064

文献信息

• NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF
  申请人：Peddi Sridhar

  公开号：US20100267738A1

  公开（公告）日：2010-10-21

  The present invention relates to inhibitors of 11-β-hydroxysteroid dehydrogenase type 1 enzyme and their use in treatment of non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome, central nervous system disorders, and diseases and conditions that are related to excessive glucocorticoids.

  本发明涉及11-β-羟基类固醇脱氢酶类型1酶的抑制剂及其在治疗非胰岛素依赖型2型糖尿病、胰岛素抵抗、肥胖、脂质紊乱、代谢综合征、中枢神经系统疾病以及与过多糖皮质激素相关的疾病和病况中的应用。
• 2-Phenoxy and 2-phenylthio and 2-phenylamino-alkyl-2-oxazolines
  申请人：Chinoin Gyogyszer es Vegyeszeti Termekek Gyara RT.

  公开号：US04119633A1

  公开（公告）日：1978-10-10

  2-phenoxy-, 2-phenylthio-, and 2-phenylamino-alkyl-2-oxazolines suitable for pharmaceutical use as hypolipemic and hypocholestric agents are disclosed.

  揭示了适用于药用的2-苯氧基、2-苯硫基和2-苯胺基烷基-2-噁唑啉，可作为降脂和降胆固醇药剂。
• Amide and amidine derivatives and uses thereof
  申请人：Peddi Sridhar

  公开号：US08507493B2

  公开（公告）日：2013-08-13

  The present invention relates to inhibitors of 11-β-hydroxysteroid dehydrogenase type 1 enzyme and their use in treatment of non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome, central nervous system disorders, and diseases and conditions that are related to excessive glucocorticoids.

  本发明涉及11-β-羟基类固醇脱氢酶1型酶的抑制剂及其在治疗非胰岛素依赖型2型糖尿病、胰岛素抵抗、肥胖症、脂质代谢紊乱、代谢综合征、中枢神经系统疾病以及与过度糖皮质激素有关的疾病和病症中的应用。
• Novel amide and amidine derivates and uses thereof
  申请人：Abbott Laboratories

  公开号：EP2243479A2

  公开（公告）日：2010-10-27

  The present invention relates to inhibitors of 11- β-hydroxysteroid dehydrogenase type 1 enzyme and their use in treatment of non-insulin dependent type 2 diabetes, insulin resistance, obesity, lipid disorders, metabolic syndrome, central nervous system disorders, and diseases and conditions that are related to excessive glucocorticoids.

  本发明涉及11-β-羟类固醇脱氢酶1型酶的抑制剂及其在治疗非胰岛素依赖型2型糖尿病、胰岛素抵抗、肥胖、血脂紊乱、代谢综合征、中枢神经系统紊乱以及与糖皮质激素过多有关的疾病和病症中的用途。
• US3979405A
  申请人：——

  公开号：US3979405A

  公开（公告）日：1976-09-07