2019-34-3

• 常用中文名：3-(4-氯苯基)丙酸
• 常用英文名：3-(4-Chlorophenyl)propanoic acid
• CAS号：2019-34-3
• 分子式：C₉H₉ClO₂
• 分子量：184.620
• 相关类别： 化学试剂 有机试剂 芳香酸
• 发布时间：2018-05-05 08:00:00
• 更新时间：2024-01-01 19:42:01

• 除草剂麦敌散的中间体。

名称

• 中文名: 3-(4-氯苯基)丙酸
• 英文名: 3-(4-Chlorophenyl)propanoic acid
• 中文别名: 对氯苯丙酸
• 英文别名: 3-(p-chlorophenyl)propionic acid; 3-(4-chlorophenyl)propionoic acid; Benzenepropanoic acid, 4-chloro-; p-Chlorohydrocinnamic acid; 3-(4-Chlorophenyl)propanoic acid; Benzenepropanoic acid,4-chloro; 3-(p-Chlorophenyl)-propanoic acid; 4-Chloro-benzenepropanoic acid; 4-chlorophenylpropionic acid; 3-(4-Chloro-phenyl)-propionic acid; MFCD00016555

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 306.6±17.0 °C at 760 mmHg
• 熔点: 127-131 °C(lit.)
• 分子式: C₉H₉ClO₂
• 分子量: 184.620
• 闪点: 139.2±20.9 °C
• 精确质量: 184.029114
• PSA: 37.30000
• LogP: 2.43
• 外观性状: 白色晶体
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.559
• 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，避免氧化物

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:3

  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:12

  8.表面电荷:0

  9.复杂度:151

  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：粉末

  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）：127-131

  5. 沸点（ºC）：未确定

  6. 沸点（ºC，2mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（°C）：未确定

  9. 比旋光度（ºF）：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,25ºC）：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

Material Safety Data Sheet Section1. Identification of the substance 3-(4-Chlorophenyl)propanoic acid Product Name: Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H302:Harmful if swallowed H318:Causes serious eye damage P280:Wear protective gloves/protective clothing/eye protection/face protection P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do – continue rinsing Section3. Composition/information on ingredients. Ingredient name:3-(4-Chlorophenyl)propanoic acid CAS number:2019-34-3 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage This product should be handled only by, or under the close supervision of, those properly qualified Handling: in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula: C9H9ClO2 Molecular weight: 184.6 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, hydrogen chloride. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. 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, GHS07
• 信号词: Danger
• 危害声明: H302-H318
• 警示性声明: P280-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R22;R41
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 2
• 海关编码: 2916399090

合成路线

上下游产品

上游产品  10
1615-02-7 67-56-1 2033-24-1 104-88-1
1073-67-2 64-18-6 144-62-7 201230-82-2
1772-43-6 104-83-6
下游产品  10
3506-75-0 6282-88-8 75677-02-0 57292-44-1
14548-38-0 156-41-2 18655-50-0 7116-36-1
77605-68-6 90944-90-4

制备

由对氯苯丙烯酸电解还原而得。还原在是装有渗透性隔膜容器的双层电解槽中进行。用水银盖满外槽，槽底作为阴极，阳极是成螺旋形的铅片悬在内槽当中。阴极电解液中装有电动搅拌器，开始以7-8%硫酸钠溶液分别装入内外两槽，然后以0.5-0.7mol/L的比例，将对氯肉桂酸悬浮在外槽电解液中，开动搅拌器，以每摩尔对氯肉桂酸对0.6-0.8mol氢氧化钠的比例，在阴极电解液中加入碱溶液。接通直流电源进行电解还原。实验中所用电压10-20V，电流约0.8-3A。还原1mol的对氯肉桂酸约需60-65A·h电量。还原完毕，用倾泻法或虹吸法使阴极电解液和水银分开，滤出微量不溶物，用过量硫酸（1：1）酸化后，经抽滤洗涤、干燥后得白色粉末固体，产率80%左右，经四氯化碳提纯得成品。

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%