25026-34-0

• 常用中文名：对氯苯乙酰氯
• 常用英文名：p-chlorophenylacetyl chloride
• CAS号：25026-34-0
• 分子式：C₈H₆Cl₂O
• 分子量：189.039
• 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：2018-07-30 10:14:19
• 更新时间：2024-01-02 18:22:05
• 下载msds

名称

• 中文名: 对氯苯乙酰氯
• 英文名: 2-(4-chlorophenyl)acetyl chloride
• 中文别名: 4-氯苯基乙酰氯; 4-氯苯基乙酰基氯; 4-氯苯乙酰氯
• 英文别名: 4-chlorophenylacetic acid chloride; parachlorophenyl acetyl chloride; Benzeneacetyl chloride, 4-chloro-; 4-Chlorobenzeneacetyl chloride; MFCD00037111; EINECS 246-571-1; p-chlorophenylacetyl chloride; 4-Chlorophenylacetyl chloride; (4-Chlorophenyl)acetyl chloride

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 254.7±23.0 °C at 760 mmHg
• 分子式: C₈H₆Cl₂O
• 分子量: 189.039
• 闪点: 103.0±22.9 °C
• 精确质量: 187.979568
• PSA: 17.07000
• LogP: 2.83
• 外观性状: 透明黄色至棕色液体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.552
• 储存条件:

  干性的保护气体下处置，

  保持贮藏器密封

  放入紧密的贮藏器内，储存在阴凉，干燥的地方

• 稳定性:

  如果遵照规格使用和储存则不会分解

  避免接触氧化物，水分/潮湿
• 分子结构:

  1、 摩尔折射率：45.57

  2、 摩尔体积（m³/mol）：142.7

  3、 等张比容（90.2K）：363.2

  4、 表面张力（dyne/cm）：41.9

  5、 极化率（10 ^-24 cm ³）：18.06

• 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:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积17.1

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:139

  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：未确定

  2. 密度（g/mL,25/4℃）：1.31

  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,15mmhg）：129

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：1.55-1.552

  8. 闪点（ºC）：>110

  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（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：未确定

MSDS

Name: 4-Chlorobenzeneacetyl chloride 98% Material Safety Data Sheet Synonym: 4-Chlorophenylacetyl chloride CAS: 25026-34-0 Section 1 - Chemical Product MSDS Name:4-Chlorobenzeneacetyl chloride 98% Material Safety Data Sheet Synonym:4-Chlorophenylacetyl chloride Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 25026-34-0 4-Chlorobenzeneacetyl chloride, 98% 98 246-571-1 Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.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: 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: Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. 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 breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. 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: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire. 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. Section 7 - HANDLING and STORAGE Handling: Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Discard contaminated shoes. 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. Corrosives area. 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# 25026-34-0: 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: red-pink 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: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H6Cl2O Molecular Weight: 189.04 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, excess heat. Incompatibilities with Other Materials: 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# 25026-34-0 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Chlorobenzeneacetyl chloride, 98% - 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, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing Group: II IMO Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing Group: II RID/ADR Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 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. WGK (Water Danger/Protection) CAS# 25026-34-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 25026-34-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 25026-34-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微危害的，若无政府许可，勿将材料排入周围环境

安全

• 符号: GHS05, GHS07
• 信号词: Danger
• 危害声明: H302-H314-H317
• 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:Corrosive;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S36/37/39-S45-S24/25
• 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

1878-66-6 ~97% 25026-34-0

文献：Chatterjee, Arnab K.; Liu, Hong; Tully, David C.; Guo, Jianhua; Epple, Robert; Russo, Ross; Williams, Jennifer; Roberts, Michael; Tuntland, Tove; Chang, Jonathan; Gordon, Perry; Hollenbeck, Thomas; Tumanut, Christine; Li, Jun; Harris, Jennifer L. Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 10 p. 2899 - 2903

3282-33-5 ~% 25026-34-0

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 10, # 15 p. 1723 - 1727

122-01-0 ~% 25026-34-0

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 10, # 15 p. 1723 - 1727

74-11-3 ~% 25026-34-0

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 10, # 15 p. 1723 - 1727

1878-66-6 79-37-8 ~% 25026-34-0

文献：US4724263 A1, ;

873-76-7 ~% 25026-34-0

文献：Scientia Pharmaceutica, , vol. 69, # 4 p. 329 - 350

622-95-7 ~% 25026-34-0

文献：Scientia Pharmaceutica, , vol. 69, # 4 p. 329 - 350

140-53-4 ~% 25026-34-0

文献：Scientia Pharmaceutica, , vol. 69, # 4 p. 329 - 350

104-03-0 ~% 25026-34-0

文献：Biochemische Zeitschrift, , vol. 27, p. 102

上下游产品

上游产品  9
1878-66-6 79-37-8 3282-33-5 122-01-0
74-11-3 873-76-7 622-95-7 140-53-4
104-03-0
下游产品  10
104941-08-4 5586-88-9 57676-51-4 5468-97-3
14310-22-6 938-95-4 3457-46-3 232267-03-7
22711-23-5 1878-66-6

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%