821-99-8

• 常用中文名：1,9-二氯壬烷
• 常用英文名：Nonane, 1,9-dichloro-
• CAS号：821-99-8
• 分子式：C₉H₁₈Cl₂
• 分子量：197.14500
• 发布时间：2018-02-16 08:00:00
• 更新时间：2024-01-02 18:42:36

名称

• 中文名: 1,9-二氯壬烷
• 英文名: 1,9-Dichlorononane
• 英文别名: 1,9-dichlorononane; EINECS 212-484-2

物化性质

• 密度: 1.091 g/mL at 25ºC(lit.)
• 沸点: 260ºC at 760 mmHg
• 分子式: C₉H₁₈Cl₂
• 分子量: 197.14500
• 闪点: 98ºC
• 精确质量: 196.07900
• LogP: 4.19470
• 外观性状: 透明无色液体像氯一样的气味
• 折射率: n20/D 1.4599(lit.)
• 储存条件:

  密封储存，储存于阴凉、干燥的库房

• 稳定性: 常温常压下稳定，避免与不相容材料接触。 与强氧化剂，强碱反应。
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:0

  4.可旋转化学键数量:8

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:56.6

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：黄色透明液体

  2. 密度（g/mL,25℃）：1.091

  3. 相对密度（25℃，4℃）：1.0173

  4. 熔点（ºC）：0

  5. 沸点（ºC,常压）：260

  6. 常温折射率（n²⁵）：1.4586

  7. 折射率(n20/D)：1.4599

  8. 闪点（ºC）：＞112

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（mmHg,25ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

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 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 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. 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: 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. 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. 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. 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. 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 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. 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. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. 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. 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. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-37/39

合成路线

3937-56-2 ~98% 821-99-8

文献：Matveeva, E. D.; Kurts, A. L.; Yalovskaya, A. I.; Nikishova, N. G.; Bundel', Yu. G. Journal of Organic Chemistry USSR (English Translation), 1989 , vol. 25, # 4.1 p. 642 - 646 Zhurnal Organicheskoi Khimii, 1989 , vol. 25, # 4 p. 716 - 721

624-17-9 ~% 821-99-8

文献：Journal of the American Chemical Society, , vol. 70, p. 3393

22543-29-9 ~% 821-99-8

文献：Pharmaceutical Chemistry Journal, , vol. 6, # 5 p. 283 - 286 Khimiko-Farmatsevticheskii Zhurnal, , vol. 6, # 5 p. 11 - 14

1852-04-6 ~% 821-99-8

文献：Pharmaceutical Chemistry Journal, , vol. 6, # 5 p. 283 - 286 Khimiko-Farmatsevticheskii Zhurnal, , vol. 6, # 5 p. 11 - 14