41841-16-1

• 常用中文名：4-溴苯乙酸甲酯
• 常用英文名：Methyl 2-(4-bromophenyl)acetate
• CAS号：41841-16-1
• 分子式：C₉H₉BrO₂
• 分子量：229.071
• 相关类别： 化学试剂 有机试剂 酯类 甲酯类化合物
• 发布时间：2018-09-06 17:27:23
• 更新时间：2024-01-07 14:12:49

名称

• 中文名: 4-溴苯乙酸甲酯
• 英文名: Methyl 2-(4-bromophenyl)acetate
• 中文别名: 4-溴苯基醋酸甲酯; 对溴苯乙酸甲酯
• 英文别名: 4-Bromophenyl acetic acid methyl ester; Benzeneacetic acid, 4-bromo-, methyl ester; Methyl (4-bromophenyl)acetate; MFCD00126844; Methyl 4-Bromophenylacetate

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 268.6±15.0 °C at 760 mmHg
• 分子式: C₉H₉BrO₂
• 分子量: 229.071
• 闪点: 116.3±20.4 °C
• 精确质量: 227.978592
• PSA: 26.30000
• LogP: 2.74
• 外观性状: 淡黄色油状
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.543
• 储存条件: 2~8°C
• 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:3

  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: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

MSDS

Name: Methyl 4-bromophenylacetate Material Safety Data Sheet Synonym: CAS: 41841-16-1 Section 1 - Chemical Product MSDS Name:Methyl 4-bromophenylacetate Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 41841-16-1 Methyl 4-bromophenylacetate unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. 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. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 41841-16-1: 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: 105 deg C @15mmHg 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: C9H9BrO2 Molecular Weight: 229.02 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 41841-16-1 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 4-bromophenylacetate - 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: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 41841-16-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 41841-16-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 41841-16-1 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 安全声明 (欧洲): 26-36/37/39

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