588-32-9

• 常用中文名：间氯苯氧乙酸
• 常用英文名：3-chlorophenoxyacetic acid
• CAS号：588-32-9
• 分子式：C₈H₇ClO₃
• 分子量：186.592
• 相关类别： 化学试剂 有机试剂 芳香酸
• 发布时间：2018-02-25 08:00:00
• 更新时间：2024-01-06 16:28:26
• 下载msds

名称

• 中文名: 3-氯苯氧基乙酸
• 英文名: (3-Chlorophenoxy)acetic Acid
• 中文别名: 间氯苯氧乙酸
• 英文别名: 3-chlorophenoxyacetic acid; EINECS 209-616-6; 2-(3-chlorophenoxy)acetic acid; Acetic acid, 2-(3-chlorophenoxy)-; MFCD00015850; (3-Chlorophenoxy)acetic acid; Acetic acid, (3-chlorophenoxy)-

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 315.2±17.0 °C at 760 mmHg
• 熔点: 106-111 °C
• 分子式: C₈H₇ClO₃
• 分子量: 186.592
• 闪点: 144.4±20.9 °C
• 精确质量: 186.008377
• PSA: 46.53000
• LogP: 2.17
• 外观性状: 白色晶体
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.558
• 储存条件:

  贮存：

  将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。

• 稳定性:

  稳定性和反应性：

  要避免的物料：氧化物。

  要分解的产品：一氧化碳和二氧化碳，氯化氢。

• 分子结构:

  分子性质数据：

  1、 摩尔折射率：44.02

  2、 摩尔体积（m³/mol）：136.5

  3、 等张比容（90.2K）：361.3

  4、 表面张力（dyne/cm）：49.1

  5、 极化率（10 ^-24cm ³）：17.45

• 计算化学:

  四、计算化学数据：

  1、 疏水参数计算参考值（XlogP）：2

  2、 氢键供体数量：1

  3、 氢键受体数量：3

  4、 可旋转化学键数量：3

  5、 拓扑分子极性表面积（TPSA）：46.5

  6、 重原子数量：12

  7、 表面电荷：0

  8、 复杂度：160

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  一、物性数据

  1. 熔点（ºC）：106-111

  2. 性状：白色结晶

MSDS

Name: 3-Chlorophenoxyacetic acid 98% Material Safety Data Sheet Synonym: CAS: 588-32-9 Section 1 - Chemical Product MSDS Name:3-Chlorophenoxyacetic acid 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 588-32-9 3-Chlorophenoxyacetic acid 98% 209-616-6 Hazard Symbols: XN Risk Phrases: 22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: May cause respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: 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. Ingestion: Get medical aid. Wash mouth out with 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 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: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 588-32-9: 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: Powder Color: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 106 - 111 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: C8H7ClO3 Molecular Weight: 186.59 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 588-32-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Chlorophenoxyacetic 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 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: XN Risk Phrases: R 22 Harmful if swallowed. Safety Phrases: WGK (Water Danger/Protection) CAS# 588-32-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 588-32-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 588-32-9 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: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): S22-S36/37
• 危险品运输编码: 2811
• 包装等级: III
• 危险类别: 6.1
• 海关编码: 2918990090

合成路线

108-43-0 79-11-8 ~79% 588-32-9

文献：Heescher, Carolin; Schollmeyer, Dieter; Nubbemeyer, Udo European Journal of Organic Chemistry, 2013 , # 20 p. 4399 - 4404

79-14-1 625-99-0 ~76% 588-32-9

文献：Xiao, Yan; Xu, Yongnan; Cheon, Hwan-Sung; Chae, Junghyun Journal of Organic Chemistry, 2013 , vol. 78, # 11 p. 5804 - 5809

35368-69-5 ~% 588-32-9

文献：Bot. Gaz., , vol. 112, p. 250,252

105-36-2 ~% 588-32-9

文献：Contributions from Boyce Thompson Institute, , vol. 14, p. 91,95, 96 Chem.Abstr., , p. 1473

108-43-0 ~% 588-32-9

文献：Bot. Gaz., , vol. 112, p. 250,252

108-43-0 107-59-5 ~% 588-32-9

文献：Journal of Medicinal Chemistry, , vol. 15, # 9 p. 940 - 944

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%