2345-32-6

• 常用中文名：4,4,4-三氯丁酸
• 常用英文名：4,4,4-Trichlorobutyric acid
• CAS号：2345-32-6
• 分子式：C₄H₅Cl₃O₂
• 分子量：191.44000
• 发布时间：2018-08-30 11:26:22
• 更新时间：2024-01-09 19:13:27

名称

• 中文名: 4,4,4-三氯丁酸
• 英文名: 4,4,4-trichlorobutanoic acid
• 英文别名: Butanoic acid,4,4,4-trichloro; 4,4,4-trichloro-butyric acid; 4,4,4-Trichlorobutyric acid; EINECS 219-065-3; 4.4.4-Trichlor-buttersaeure; MFCD00100736

物化性质

• 密度: 1.551g/cm3
• 沸点: 274.8ºC at 760mmHg
• 熔点: 43ºC
• 分子式: C₄H₅Cl₃O₂
• 分子量: 191.44000
• 闪点: 120ºC
• 精确质量: 189.93600
• PSA: 37.30000
• LogP: 2.22140
• 蒸汽压: 0.00145mmHg at 25°C
• 折射率: 1.505
• 储存条件:

  保持容器密封，放入紧密的出藏器内，储存在阴凉，干燥的地方

• 稳定性:

  避免氧化物接触

• 分子结构:

  1、 摩尔折射率：36.65

  2、 摩尔体积（m³/mol）：123.3

  3、 等张比容（90.2K）：47.2

  4、 表面张力（dyne/cm）：47.2

  5、 极化率（10 ^-24cm ³）：14.53

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.9

  2.氢键供体数量:1

  3.氢键受体数量:2

  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37.3

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:107

  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：晶体状粉末

  2. 密度（g/L,20ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：43-44

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC 0.8mmHg）：未确定

  7. 折射率（nD20）：未确定

  8. 闪点（ºF）：未确定

  9. 比旋光度（）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（Pa,20ºC）：未确定

  12. 饱和蒸气压（kPa,20ºC）：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 4 4-Trichlorobutanoic acid 97% Material Safety Data Sheet Synonym: 4,4,4-Trichlorobutyric aci CAS: 2345-32-6 Section 1 - Chemical Product MSDS Name:4 4 4-Trichlorobutanoic acid 97% Material Safety Data Sheet Synonym:4,4,4-Trichlorobutyric aci Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2345-32-6 4,4,4-Trichlorobutanoic acid 97% 219-065-3 Hazard Symbols: C Risk Phrases: 20/21/22 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Causes burns. Potential Health Effects Eye: Causes eye burns. Skin: Harmful if absorbed through the skin. Causes skin burns. Ingestion: Harmful if swallowed. Causes gastrointestinal tract burns. Inhalation: Harmful if inhaled. 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. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal 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# 2345-32-6: 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: Solid Color: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 43 - 44 deg C 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: C4H5Cl3O2 Molecular Weight: 191 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2345-32-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 4,4,4-Trichlorobutanoic acid - 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 SOLID, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3261 Packing Group: III IMO Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing Group: III RID/ADR Shipping Name: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3261 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. 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# 2345-32-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2345-32-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2345-32-6 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: 对水是稍微有害的，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): C:Corrosive;
• 风险声明 (欧洲): R20/21/22;R34
• 安全声明 (欧洲): S26-S36/37/39-S45
• 危险品运输编码: UN 3261
• 包装等级: II
• 海关编码: 2915900090

合成路线

19376-56-8 ~99% 2345-32-6

文献：Enichem S.p.A. Patent: EP1002800 A1, 2000 ;

56-23-5 79-10-7 ~6% 2345-32-6 4387-77-3

文献：Helvetica Chimica Acta, , vol. 63, # 7 p. 1947 - 1957

67-66-3 107-13-1 ~% 2345-32-6

文献：Journal of the American Chemical Society, , vol. 96, p. 2201 - 2208

67-66-3 292638-85-8 ~21% 2345-32-6 19376-57-9

文献：Chemische Berichte, , vol. 123, p. 582 - 588

19376-57-9 ~% 2345-32-6

文献：US2680763 , ;

7647-01-0 19376-56-8 ~% 2345-32-6

文献：Journal of the American Chemical Society, , vol. 67, p. 601

67-66-3 292638-85-8 ~% 2345-32-6

文献：Chemische Berichte, , vol. 101, p. 1407 - 1413

上下游产品

上游产品  8
19376-56-8 56-23-5 79-10-7 67-66-3
107-13-1 292638-85-8 19376-57-9 7647-01-0
下游产品  2
19376-57-9 19376-56-8

海关

海关编码	2915900090
中文概述	2915900090. 其他饱和无环一元羧酸及其酸酐（酰卤、过氧）化物、过氧酸及其卤化、硝化、磺化、亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:5.5%. 普通关税:30.0%
申报要素	品名, 成分含量, 用途
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%