223128-33-4

• 常用中文名：4-异丙基苯氧基乙酰氯
• 常用英文名：4-Isopropyl Phenoxy Acetyl Chloride
• CAS号：223128-33-4
• 分子式：C₁₁H₁₃ClO₂
• 分子量：212.67300
• 发布时间：2018-09-04 07:20:08
• 更新时间：2024-01-01 18:49:03

名称

• 中文名: (4-异丙基苯氧基)乙酰氯
• 英文名: 2-(4-propan-2-ylphenoxy)acetyl chloride
• 中文别名: 4-异丙基苯氧基乙酰氯
• 英文别名: p-isopropylphenoxyacetyl chloride; isopropylphenoxyacetyl chloride; 2-(4-isopropylphenoxy)acetyl chloride; (4-ISOPROPYLPHENOXY)ACETYL CHLORIDE; MFCD02628421; F2190-0105; 4-Isopropylphenoxyacetyl chloride; 4-Isopropyl Phenoxy Acetyl Chloride

物化性质

• 密度: 1.128g/cm3
• 沸点: 276.8ºC at 760mmHg
• 分子式: C₁₁H₁₃ClO₂
• 分子量: 212.67300
• 闪点: 103.2ºC
• 精确质量: 212.06000
• PSA: 26.30000
• LogP: 2.95420
• 蒸汽压: 0.00469mmHg at 25°C
• 折射率: 1.512
• 储存条件:

  保存方法：密闭，阴凉，通风干燥处

• 稳定性:

  避氧化物、水分

• 水溶解性: Very slightly soluble (0.23 g/L) (25 ºC)
• 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:2

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积26.3

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:184

  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：粉红色或黄色或白色的液体

  2. 密度（g/mL20 ºC）：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,常压）：未确定

  6. 沸点（ºC4mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（º C）：未确定

  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,）：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：与水发生反应

MSDS

Name: 4-Isopropylphenoxyacetyl chloride Material Safety Data Sheet Synonym: CAS: 223128-33-4 Section 1 - Chemical Product MSDS Name:4-Isopropylphenoxyacetyl chloride Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 223128-33-4 4-Isopropylphenoxyacetyl chloride unlisted Hazard Symbols: C Risk Phrases: 29 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Contact with water liberates toxic gas. Causes burns. Potential Health Effects Eye: Causes eye burns. Lachrymator (substance which increases the flow of tears). Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. 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 immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. 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. Water Reactive. Material will react with water and may release a flammable and/or toxic gas. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. DO NOT USE WATER! 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. Section 7 - HANDLING and STORAGE Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 223128-33-4: Personal Protective Equipment Eyes: Not available. 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C11H14ClO2 Molecular Weight: 213.68 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Moisture sensitive. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Oxidizing agents, strong bases, alcohols. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide, phosgene gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 223128-33-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Isopropylphenoxyacetyl chloride - 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 29 Contact with water liberates toxic gas. R 34 Causes burns. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. 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# 223128-33-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 223128-33-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 223128-33-4 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: 1、其它有害作用：通常对水是稍微危害的，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): C
• 危险品运输编码: UN3265
• 包装等级: II
• 危险类别: 8
• 海关编码: 2918990090

合成路线

1643-16-9 ~92% 223128-33-4

文献：Ozcan, Sevil; Kazi, Aslamuzzaman; Marsilio, Frank; Fang, Bin; Guida, Wayne C.; Koomen, John; Lawrence, Harshani R.; Sebti, Said M. Journal of Medicinal Chemistry, 2013 , vol. 56, # 10 p. 3783 - 3805

79-37-8 1643-16-9 90719-32-7 ~% 223127-28-4 详细

文献：US6528525 B1, ;

99-89-8 ~% 223128-33-4

文献：Journal of Medicinal Chemistry, , vol. 56, # 10 p. 3783 - 3805

1401223-60-6 ~% 223128-33-4

文献：Journal of Medicinal Chemistry, , vol. 56, # 10 p. 3783 - 3805

上下游产品

上游产品  4
1643-16-9 79-37-8 90719-32-7 99-89-8
下游产品  0

海关

海关编码	2918990090
中文概述	2918990090. 其他含其他附加含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 增值税率:17.0%. 退税率:13.0%. 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
Summary	2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%