50606-95-6

• 常用中文名：4-己基苯甲酰氯
• 常用英文名：4-n-hexylbenzoyl chloride
• CAS号：50606-95-6
• 分子式：C₁₃H₁₇ClO
• 分子量：224.72600
• 相关类别： 化学试剂 有机试剂 酰卤
• 发布时间：2018-02-28 08:00:00
• 更新时间：2024-01-10 18:03:32
• 下载msds

名称

• 中文名: 4-己基苯甲酰氯
• 英文名: 4-n-hexylbenzoyl chloride
• 中文别名: 4-正己苯甲酰氯
• 英文别名: 4-n-Hexylbenzoyl Chloride; EINECS 256-647-6; MFCD00000701; 4-hexylbenzoyl chloride

物化性质

• 密度: 1.029 g/mL at 25 °C(lit.)
• 沸点: 176-177°C 22mm
• 分子式: C₁₃H₁₇ClO
• 分子量: 224.72600
• 闪点: >230 °F
• 精确质量: 224.09700
• PSA: 17.07000
• LogP: 4.18840
• 外观性状: 透明黄色至淡棕色液体
• 折射率: n20/D 1.5256(lit.)
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

• 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:1

  4.可旋转化学键数量:6

  5.互变异构体数量:3

  6.拓扑分子极性表面积17.1

  7.重原子数量:15

  8.表面电荷:0

  9.复杂度:183

  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：液体

  2. 密度（g/mL,25ºC）：1.029

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC）：未确定

  6. 沸点（ºC，2mm hg）：126-128

  7. 折射率：n 20/D 1.5256(lit.)

  8. 闪点（°F）：>230°F

  9. 比旋光度（ºC）：未确定

  10. 自燃点或引燃温度（ºC）： 未确定

  11. 蒸气压（kPa,20ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：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：与水反应

MSDS

Name: 4-Hexylbenzoyl chloride 99% Material Safety Data Sheet Synonym: Benzoyl chloride, 4-hexyl CAS: 50606-95-6 Section 1 - Chemical Product MSDS Name:4-Hexylbenzoyl chloride 99% Material Safety Data Sheet Synonym:Benzoyl chloride, 4-hexyl Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 50606-95-6 Benzoyl chloride, 4-hexyl- 99 256-647-6 Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Moisture sensitive.Corrosive. Potential Health Effects Eye: Causes eye burns. May cause chemical conjunctivitis and corneal damage. Skin: Causes skin burns. May cause skin rash (in milder cases), and cold and clammy skin with cyanosis or pale color. Ingestion: May cause severe and permanent damage to the digestive tract. Causes gastrointestinal tract burns. May cause perforation of the digestive tract. May cause systemic effects. Inhalation: May cause severe irritation of the respiratory tract with sore throat, coughing, shortness of breath and delayed lung edema. Causes chemical burns to the respiratory tract. Aspiration may lead to pulmonary edema. May cause systemic effects. Chronic: Effects may be delayed. 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 immediately. Do NOT allow victim to rub eyes or keep eyes closed. Extensive irrigation with water is required (at least 30 minutes). Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Destroy contaminated shoes. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do not use mouth-to-mouth resuscitation if victim ingested or inhaled the substance; induce artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. 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. Water hydrolyzes material liberating acidic gas which in contact with metal surfaces can generate flammable and/or explosive hydrogen gas. Extinguishing Media: DO NOT USE WATER! Do NOT get water inside containers. In case of fire, use carbon dioxide, dry chemical powder 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Do not get water inside containers. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Do not allow contact with water. Use only in a chemical fume hood. Discard contaminated shoes. Keep from contact with moist air and steam. Storage: Store in a tightly closed container. Store protected from moisture. Store in a cool, dry 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# 50606-95-6: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Liquid Color: clear yellow Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not applicable. Flash Point: > 112 deg C (> 233.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Not available. Solubility in water: Hydrolysis. Specific Gravity/Density: 1.0290g/cm3 Molecular Formula: C13H17ClO Molecular Weight: 224.73 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. May decompose on exposure to moist air or water. Conditions to Avoid: Incompatible materials, moisture, contact with water. Incompatibilities with Other Materials: Moisture, water, alcohols, oxidizing agents, strong bases. Hazardous Decomposition Products: Hydrogen chloride, phosgene, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 50606-95-6 unlisted. LD50/LC50: Not available. Carcinogenicity: Benzoyl chloride, 4-hexyl- - 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 Shipping Name: CORROSIVE LIQUID, N.O.S.* Hazard Class: 8 UN Number: 1760 Packing Group: II IMO Shipping Name: CORROSIVE LIQUID, N.O.S. Hazard Class: 8 UN Number: 1760 Packing Group: II RID/ADR Shipping Name: CORROSIVE LIQUID, N.O.S. Hazard Class: 8 UN Number: 1760 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 24/25 Avoid contact with skin and eyes. S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. WGK (Water Danger/Protection) CAS# 50606-95-6: No information available. Canada CAS# 50606-95-6 is listed on Canada's NDSL List. CAS# 50606-95-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 50606-95-6 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境

安全

• 符号: GHS05
• 信号词: Danger
• 危害声明: H314
• 警示性声明: P280-P305 + P351 + P338-P310
• 个人防护装备: Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): C
• 风险声明 (欧洲): 34
• 安全声明 (欧洲): S26-S36/37/39-S45
• 危险品运输编码: UN 3265 8/PG 2
• WGK德国: 3
• 包装等级: II
• 危险类别: 8
• 海关编码: 2916399090

合成路线

21643-38-9 ~% 50606-95-6

文献：Kizner, T. A.; Mikhaleva, M. A.; Serebryakova, E. S. Chemistry of Heterocyclic Compounds (New York, NY, United States), 1991 , vol. 27, # 3 p. 313 - 315 Khimiya Geterotsiklicheskikh Soedinenii, 1991 , # 3 p. 386 - 388

79-37-8 1077-16-3 ~% 50606-95-6

文献：Tinh; Pourrere; Destrade Molecular crystals and liquid crystals, 1980 , vol. 62, # 1-2 p. 125 - 139

上下游产品

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61592-85-6

海关

海关编码	2916399090
中文概述	2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
Summary	2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%