54256-43-8

• 常用中文名：4-正癸基苯甲酰氯
• 常用英文名：4-Decylbenzoyl chloride
• CAS号：54256-43-8
• 分子式：C₁₇H₂₅ClO
• 分子量：280.83300
• 相关类别： 有机原料 羧酸类化合物及衍生物 羧酸酰卤化物
• 发布时间：2018-02-23 08:00:00
• 更新时间：2024-01-17 18:55:30

名称

• 中文名: 4-正癸基苯甲酰氯
• 英文名: 4-n-decylbenzoyl chloride
• 英文别名: MFCD00041724; 4-decylbenzoyl chloride; EINECS 259-046-7

物化性质

• 密度: 1g/cm3
• 沸点: 368.2ºC at 760mmHg
• 分子式: C₁₇H₂₅ClO
• 分子量: 280.83300
• 闪点: 176.4ºC
• 精确质量: 280.15900
• PSA: 17.07000
• LogP: 5.74880
• 外观性状: 液体
• 折射率: 1.512-1.514
• 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

• 水溶解性: Reacts with water.
• 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:10

  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:19

  8.表面电荷:0

  9.复杂度:231

  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）：未确定

  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）：171-173

  7. 折射率：1.512-1.514

  8. 闪点（°C）：171-173°C/2mm

  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,25ºC）：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-Decylbenzoyl Chloride 98% (Titr.) Material Safety Data Sheet Synonym: None known CAS: 54256-43-8 Section 1 - Chemical Product MSDS Name:4-Decylbenzoyl Chloride 98% (Titr.) Material Safety Data Sheet Synonym:None known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 54256-43-8 Benzoyl Chloride, 4-Decyl- 98 259-046-7 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema. Chronic: Effects may be delayed. Section 4 - FIRST AID MEASURES Eyes: Immediately 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: Treat symptomatically and supportively. 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. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. 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: 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. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. 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. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Storage: 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# 54256-43-8: 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 light yellow Odor: chlorine-like pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 172 deg C @ 2.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 93 deg C (> 199.40 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C17H25ClO Molecular Weight: 280.83 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, ignition sources, excess heat, strong oxidants. Incompatibilities with Other Materials: 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# 54256-43-8 unlisted. LD50/LC50: Not available. Carcinogenicity: Benzoyl Chloride, 4-Decyl- - 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 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 24/25 Avoid contact with skin and eyes. 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# 54256-43-8: No information available. Canada CAS# 54256-43-8 is listed on Canada's NDSL List. CAS# 54256-43-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 54256-43-8 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

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): 24/25
• 危险品运输编码: UN 3265
• 包装等级: II
• 海关编码: 2916399090

合成路线

38300-04-8 ~% 54256-43-8

文献：Angewandte Chemie - International Edition, , vol. 39, # 4 p. 758 - 761

106-37-6 ~% 54256-43-8

文献：Angewandte Chemie - International Edition, , vol. 39, # 4 p. 758 - 761

17049-50-2 ~% 54256-43-8

文献：Angewandte Chemie - International Edition, , vol. 39, # 4 p. 758 - 761

106418-67-1 ~% 54256-43-8

文献：Angewandte Chemie - International Edition, , vol. 39, # 4 p. 758 - 761

79-37-8 104-72-3 ~% 54256-43-8

文献：Helvetica Chimica Acta, , vol. 65, # 8 p. 2448 - 2449

上下游产品

上游产品  6
38300-04-8 106-37-6 17049-50-2 106418-67-1
79-37-8 104-72-3
下游产品  4
38300-04-8 70972-99-5 7408-29-9 61518-87-4

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%