618-89-3

• 常用中文名：3-溴苯甲酸甲酯
• 常用英文名：Methyl 3-bromobenzoate
• CAS号：618-89-3
• 分子式：C₈H₇BrO₂
• 分子量：215.044
• 相关类别： 化学试剂 有机试剂 酯类 甲酯类化合物
• 发布时间：2018-03-27 08:00:00
• 更新时间：2024-01-04 18:20:54
• 下载msds

名称

• 中文名: 3-溴苯甲酸甲酯
• 英文名: Methyl 3-bromobenzoate
• 中文别名: 甲基3-溴苯甲酸酯; 间溴苯甲酸甲酯
• 英文别名: 3-methoxycarbonyl-1-bromobenzene; (3-bromophenyl)acetic acid methyl ester; m-bromobenzoic acid methyl ester; Methyl 3-bromobenzoate; Benzoic acid, m-bromo-, methyl ester; MFCD00017777; Benzoic acid,3-bromo-,methyl ester; Methyl-3-brombenzolcarboxylat; Benzoic acid, 3-bromo-, methyl ester; methyl-3-bromobenzoate; Methyl m-bromobenzoate; EINECS 210-569-9; 3-MeO2CC6H4Br; 3-Bromobenzoic acid,methyl ester

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 244.4±13.0 °C at 760 mmHg
• 熔点: 31-33 °C(lit.)
• 分子式: C₈H₇BrO₂
• 分子量: 215.044
• 闪点: 101.6±19.8 °C
• 精确质量: 213.962936
• PSA: 26.30000
• LogP: 2.88
• 外观性状: 淡黄色晶体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.550
• 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:

  常温常压下稳定

  避免光，明火，高温

  避免氧化物

• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：45.71

  2、 摩尔体积（m³/mol）：143.5

  3、 等张比容（90.2K）：362.6

  4、 表面张力（dyne/cm）：40.7

  5、 极化率（10 ^-24cm ³）：18.12

• 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:2

  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:11

  8.表面电荷:0

  9.复杂度:147

  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:

  一、物性数据

  1. 性状：淡黄色晶体。

  2. 密度：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：31-34℃。

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）： 139-140℃。

  7. 折射率：未确定

  8. 闪点（ºC）：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,25ºC）：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：溶于乙醚、乙醇、乙酸乙酯。

MSDS

Methyl 3-Bromobenzoate Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:Methyl 3-Bromobenzoate Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDSNot classified Not classified ENVIRONMENTAL HAZARDS GHS label elements None Pictograms or hazard symbols Signal wordNo signal word None Hazard statement Precautionary statementsNone Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):Methyl 3-Bromobenzoate Percent:>99.0%(GC) CAS Number:618-89-3 Synonyms:3-Bromobenzoic Acid Methyl Ester Chemical Formula:C8H7BrO2 Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Methyl 3-Bromobenzoate Section5. FIRE-FIGHTING MEASURES Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling:Avoid contact with skin, eyes and clothing. Storage Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:crystal Color:White - Pale yellow Odor:No data available pH: No data available Melting point/freezing point:30°C (Freezing point) Boiling Point/Range:No data available Flash Point:No data available Explosive limits Lower:No data available Upper:No data available Density:No data available Solubility:No data available Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents Methyl 3-Bromobenzoate Section10. STABILITY AND REACTIVITY Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen bromide Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobillity in soil log Pow:No data available No data available Soil adsorption (Koc): Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations Not Listed UN-No: Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. Methyl 3-Bromobenzoate 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。 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

安全

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S37/39-S26
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2916399090

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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%