1,9-二氯壬烷 | 821-99-8

• 物质功能分类: 化学试剂 - 有机试剂 - 烷烃
• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氯化物
• 中文名称: 1,9-二氯壬烷
• 中文别名: 1-十一烯
• 英文名称: 1,9-dichlorononane
• 英文别名: 1,9-Dichlor-nonan
• CAS: 821-99-8
• 化学式: C₉H₁₈Cl₂
• mdl: MFCD00001024
• 分子量: 197.148
• InChiKey: JMGRNJZUQCEJDB-UHFFFAOYSA-N

物化性质

• 沸点：
  258-262 °C(lit.)
• 密度：
  1.091 g/mL at 25 °C(lit.)
• 闪点：
  >230 °F
• 溶解度：
  丙酮（微量溶解）、氯仿（可溶）、DMSO（微量溶解）、DMSO（微量溶解）
• 保留指数：
  1435
• 稳定性/保质期：
  在常温常压下保持稳定，应避免与不相容的材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  11
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• TSCA：
  Yes
• 安全说明：
  S26,S37/39
• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335
• 储存条件：
  密封储存，应存放在阴凉、干燥的仓库中。

SDS

Name:	1 9-Dichlorononane 99% Material Safety Data Sheet
Synonym:	None
CAS:	821-99-8

Section 1 - Chemical Product MSDS Name:1 9-Dichlorononane 99% Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
821-99-8	1,9-Dichlorononane	99	212-484-2

Hazard Symbols: XI
Risk Phrases: 36/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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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# 821-99-8: Belgium - TWA: (listed as nonane): 200 ppm VLE; 1065 mg/m3 VLE France - VME: (listed as nonane): 200 ppm VME; 1050 mg/m3 VME Germany: (listed as nonane): 200 ppm VME; 1050 mg/m3 VME Japan: (listed as nonane): 200 ppm OEL; 1050 mg/m3 OEL Malaysia: (listed as nonane): 200 ppm TWA; 1050 mg/m3 TWA Netherlands: (listed as nonane): 200 ppm MAC; 1050 mg/m3 MAC Spain: (listed as nonane): 200 ppm VLA-ED; 1065 mg/m3 VLA-ED Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: clear, colorless
Odor: chlorine-like
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 258-262 deg C @ 760.00mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0910g/cm3
Molecular Formula: C9H18Cl2
Molecular Weight: 197.15

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Strong bases, strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 821-99-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1,9-Dichlorononane - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/38 Irritating to eyes and skin.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 821-99-8: No information available.
Canada
CAS# 821-99-8 is listed on Canada's NDSL List.
CAS# 821-99-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 821-99-8 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,9-二氯壬烷 在 sodium iodide 作用下， 以 丙酮 为溶剂， 生成 1,9-二碘壬烷
  参考文献：
  名称：

  Synthesis and pharmacological properties of bisquaternary salts of α,ω-Di[N-methyl-N-(1-adamantyl)amino] alkanes

  摘要：

  DOI：

  10.1007/bf00771468
• 作为产物：
  描述：

  壬二酸二乙酯 在 吡啶 、 氯化亚砜 、 copper chromite 作用下， 270.0 ℃ 、20.59 MPa 条件下， 生成 1,9-二氯壬烷
  参考文献：
  名称：

  Ahmad; Bumpus; Strong, Journal of the American Chemical Society, 1948, vol. 70, p. 3393

  摘要：

  DOI：

文献信息

• Polycations-12. The Synthesis of Liquid Ionic Phosphates (LIPs) from Mono- and Polycationic Ammonium Halides
  作者：Robert Engel、JaimeLee Iolani Cohen、Sharon Lall、Valbona Behaj、Danny Mancheno、Robert Casiano、Marie Thomas、Amir Rikin、Jennifer Gaillard、Ravinder Raju、Alexander Scumpia、Steve Castro

  DOI：10.1055/s-2002-33333

  日期：——

  Preparations are reported for an extensive series of phosphate salts of polyammonium species from the corresponding halide salts. The phosphate salts, as anhydrous materials, are liquid at or near room temperature. Three approaches for the preparation of these materials are noted, including treatment with aqueous hexafluorophosphoric acid, classical ion exchange methods, and treatment with 85% phosphoric

  报道了从相应的卤化物盐制备大量聚铵物质的磷酸盐系列。作为无水材料的磷酸盐在室温或接近室温时是液体。指出了制备这些材料的三种方法，包括用六氟磷酸水溶液处理、经典离子交换方法和用 85% 磷酸处理。最后一个提供了最理想的结果。为了与其他类型的离子液体进行比较，还制备了几种单阳离子磷酸盐。
• Experimental and QSAR Studies on Antimicrobial Activity of Benzimidazole Derivatives
  作者：Ayarivan Puratchikody、Govindasamy Nagalakshmi、Mukesh Doble

  DOI：10.1248/cpb.56.273

  日期：——

  Twenty eight analogues of benzimidazoles had been synthesized and tested for their antimicrobial activity against four bacteria (Staphylococcus auerus, Escherichia coli, Bacillus pumilus and Proteus vulgaris) and two fungi (Aspergillus flavus and Aspergilus niger). Compounds with R as C6H4NO2 and R′ as SO2C6H4–CH3(p), with R as C6H4OCH3 and R′ as SO2C6H4–CH3(p), and with R as CH2C6H5 and R′ as CH2(CH2)9Cl exhibited comparable or higher antibacterial activity than Ciprofloxacin against S. auerus and E. coli and, higher activity than Nystatin against A. flavus. Several other compounds showed better activity than the standard antibiotic for E. coli. Compounds with R as CCl3 and R′ as SO2C6H4–CH3(p) or COC6H5 exhibited the lowest activity against all the organisms. Addition of methylene groups in the R′ position increased activity. Many of the compounds showed better activity than Ciprofloxacin for one or more organisms. Compound with R as CH2OC6H5 and R′ as CH2(CH2)9Cl exhibited higher activity against both the fungii than the control Nystatin. Quantitative structure activity relationships (QSARs) developed were good for all the organisms (R2=0.65 to 0.88; Radj2 = 0.63 to 0.86) and the predictive capability of the developed models was also reasonable (q2=0.52 to 0.83). The models had two to three independent variables. The data for the models which had three independent variables were divided into training and test/validation sets. The former set was used to develop the QSAR and these developed models were used to predict the activity of the test set data. In all the three cases the predictive capability of the models was good. The molecular descriptors identified were predominantly log P, electronic parameters, molecular size, shape and area. A positive correlation existed between the antibacterial activity and the first principal component.

  已经合成了28种苯并咪唑类衍生物，并对它们对四种细菌（金黄色葡萄球菌、大肠杆菌、短小芽孢杆菌和普通变形杆菌）和两种真菌（黄曲霉和黑曲霉）的抗微生物活性进行了测试。当R为C6H4NO2、R′为SO2C6H4-CH3(p)，R为C6H4OCH3、R′为SO2C6H4-CH3(p)，以及R为CH2C6H5、R′为CH2(CH2)9Cl时，这些化合物的抗菌活性与环丙沙星相当或更高，对金黄色葡萄球菌和大肠杆菌的活性高于制霉菌素对黄曲霉的活性。还有几种化合物对大肠杆菌的活性优于标准抗生素。R为CCl3、R′为SO2C6H4-CH3(p)或COC6H5的化合物对所有生物体的活性最低。在R′位置添加亚甲基基团可以提高活性。许多化合物对一种或多种生物体的活性优于环丙沙星。R为CH2OC6H5、R′为CH2(CH2)9Cl的化合物对这两种真菌的活性高于对照制霉菌素。开发的定量结构-活性关系（QSARs）对所有生物体都很好（R2=0.65至0.88；Radj2 = 0.63至0.86），开发模型的预测能力也合理（q2=0.52至0.83）。这些模型包含两到三个独立变量。具有三个独立变量的模型的数据被分为训练集和测试/验证集。前者用于开发QSAR，这些开发的模型用于预测测试集数据的活性。在所有三种情况下，模型的预测能力都很好。识别的分子描述符主要是log P、电子参数、分子大小、形状和面积。抗菌活性与第一主成分之间存在正相关关系。
• Studies in Pheromone Biosynthesis: Preparation of³H Labelled Precursors of Drosophila Pheromones
  作者：L. Bricard、G. Kunesch

  DOI：10.1080/00397919308012587

  日期：1993.9

  Abstract Two synthetic schemes were designed giving access to tritium labelled potential precursors of Drosophila pheromones. An intermediate in the first scheme allowed the preparation of [3H]-labelled vaccenyl acetate.

  摘要 设计了两种合成方案，可以获得氚标记的果蝇信息素的潜在前体。第一个方案中的中间体允许制备[3H]-标记的醋酸乙烯酯。
• 一种新型乙酰胆碱酯酶抑制剂及其制备方法 和应用
  申请人：上海交通大学

  公开号：CN107721925B

  公开（公告）日：2020-02-14

  本发明提供了一种新型乙酰胆碱酯酶抑制剂及其制备方法和应用，具体地，本发明公开了一类如式A所示的具有双AChE结合位点的取代吖啶类化合物，及其制备方法和作为乙酰胆碱酯酶抑制剂的用途。本发明所制备的新型化合物表现出良好的抑制乙酰胆碱酯酶的作用，有作为制备治疗及预防阿尔兹海默症(AD)的应用价值。
• MITOCHONDRIA TARGETED CATIONIC ANTI-OXIDANT COMPOUNDS FOR PREVENTION, THERAPY OR TREATMENT OF HYPER-PROLIFERATIVE DISEASE, NEOPLASIAS AND CANCERS
  申请人：Zarling David A.

  公开号：US20110059922A1

  公开（公告）日：2011-03-10

  The inventions disclosed include methods of treating cancers and related neoplasias, especially prostate cancer, with pharmaceutically acceptable salts comprising lipophilic cation moieties linked to nitroxide or linked to hydroxylamine anti-oxidant groups.

  披露的发明包括使用含有脂溶性阳离子基团与亚硝酰基或羟胺抗氧化基团相连的药用盐来治疗癌症和相关的新生物病变，特别是前列腺癌的方法。

表征谱图