18358-63-9

• 常用中文名：4-(甲氨基)苯甲酸甲酯
• 常用英文名：methyl 4-methylaminobenzoate
• CAS号：18358-63-9
• 分子式：C₉H₁₁NO₂
• 分子量：165.18900
• 相关类别： 化学试剂 有机试剂 芳烃
• 发布时间：2018-05-27 08:00:00
• 更新时间：2024-01-02 18:11:11

名称

• 中文名: 4-(甲氨基)苯甲酸甲酯
• 英文名: methyl 4-(methylamino)benzoate
• 中文别名: 4-甲基氨基苯甲酸甲酯
• 英文别名: Methyl 4(methylamino)benzoate; MFCD00017198; 4-(N-methylamino)benzoic acid methyl ester; Benzoic acid,4-(methylamino)-,methyl ester; Methyl 4-(methylamino)benzoate; methyl 4-(N-methyl)aminobenzoate; 4-Methylamino-benzoic acid methyl ester; 4-(carbomethoxy)-N-methylaniline; methyl N-methyl-4-aminobenzoate

物化性质

• 密度: 1.125g/cm3
• 沸点: 277.5ºC at 760mmHg
• 熔点: 94-96°C
• 分子式: C₉H₁₁NO₂
• 分子量: 165.18900
• 闪点: 121.6ºC
• 精确质量: 165.07900
• PSA: 38.33000
• LogP: 1.58790
• 蒸汽压: 0.00451mmHg at 25°C
• 折射率: 1.562
• 储存条件:

  常温密闭避光，通风干燥

• 稳定性:

  常温常压下稳定

  避免的物料：氧化物
• 分子结构:

  1、 摩尔折射率：47.63

  2、 摩尔体积（m³/mol）：146.7

  3、 等张比容（90.2K）：371.0

  4、 表面张力（dyne/cm）：40.8

  5、 极化率（10^-24cm³）：18.88

• 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:3

  4.可旋转化学键数量:3

  5.互变异构体数量:3

  6.拓扑分子极性表面积38.3

  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：不确定

  2. 密度（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：94-96

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC, 5.2kPa）：不确定

  7. 折射率：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Version 1.0 Regulation (EC) No 1907/2006 1 - Product and Company Information Product NameMETHYL 4-(METHYLAMINO)BENZOATE - 50 MG 2 - Hazards Identification SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT May cause sensitization by skin contact. 3 - Composition/Information on Ingredients Product NameCAS #EC noAnnex I Index Number METHYL 4-(METHYLAMINO)BENZOATE18358-63-9 NoneNone FormulaC9H11NO2 Molecular Weight 165,1900 AMU 4 - First Aid Measures AFTER INHALATION If inhaled, remove to fresh air. If breathing becomes difficult, call a physician. AFTER SKIN CONTACT In case of skin contact, flush with copious amounts of water for at least 15 minutes. Remove contaminated clothing and shoes. Call a physician. AFTER EYE CONTACT In case of contact with eyes, flush with copious amounts of water for at least 15 minutes. Assure adequate flushing by separating the eyelids with fingers. Call a physician. AFTER INGESTION If swallowed, wash out mouth with water provided person is conscious. Call a physician. 5 - Fire Fighting Measures ALDRICHwww.molbase.com EXTINGUISHING MEDIA Suitable: Water spray. Carbon dioxide, dry chemical powder, or appropriate foam. SPECIAL RISKS Specific Hazard(s): Emits toxic fumes under fire conditions. SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS Wear self-contained breathing apparatus and protective clothing to prevent contact with skin and eyes. 6 - Accidental Release Measures PROCEDURE(S) OF PERSONAL PRECAUTION(S) Wear respirator, chemical safety goggles, rubber boots, and heavy rubber gloves. METHODS FOR CLEANING UP Sweep up, place in a bag and hold for waste disposal. Avoid raising dust. Ventilate area and wash spill site after material pickup is complete. 7 - Handling and Storage HANDLING Directions for Safe Handling: Avoid breathing dust. Avoid contact with eyes, skin, and clothing. Avoid prolonged or repeated exposure. STORAGE Conditions of Storage: Keep tightly closed. 8 - Exposure Controls / Personal Protection ENGINEERING CONTROLS Mechanical exhaust required. GENERAL HYGIENE MEASURES Wash thoroughly after handling. Wash contaminated clothing before reuse. PERSONAL PROTECTIVE EQUIPMENT Respiratory Protection: Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Where risk assessment shows air-purifying respirators are appropriate use a dust mask type N95 (US) or type P1 (EN 143) respirator. Special Protective Measures: Wear appropriate government approved respirator, chemical-resistant gloves, safety goggles, other protective clothing. 9 - Physical and Chemical Properties AppearancePhysical State: Solid PropertyValueAt Temperature or Pressure pHN/A BP/BP RangeN/A MP/MP RangeN/A ALDRICHwww.molbase.com Flash PointN/A FlammabilityN/A Autoignition TempN/A Oxidizing Properties N/A Explosive Properties N/A Explosion LimitsN/A Vapor PressureN/A Partition Coefficient Log Kow: 1,825 ViscosityN/A Vapor DensityN/A Saturated Vapor Conc. N/A Evaporation RateN/A Bulk DensityN/A Decomposition Temp.N/A Solvent ContentN/A Water ContentN/A Surface TensionN/A ConductivityN/A Miscellaneous DataN/A SolubilityN/A 10 - Stability and Reactivity STABILITY Stable: Stable. Materials to Avoid: Oxidizing agents. HAZARDOUS DECOMPOSITION PRODUCTS Hazardous Decomposition Products: Carbon monoxide, Carbon dioxide, Nitrogen oxides. HAZARDOUS POLYMERIZATION Hazardous Polymerization: Will not occur 11 - Toxicological Information SENSITIZATION Sensitization: Sensitizer. Skin: May cause allergic skin reaction. The preceding data, or interpretation of data, was determined using Quantitative Structure Activity Relationship (QSAR) modeling. SIGNS AND SYMPTOMS OF EXPOSURE To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly investigated. ROUTE OF EXPOSURE Skin Contact: May cause skin irritation. Skin Absorption: May be harmful if absorbed through the skin. Eye Contact: May cause eye irritation. Inhalation: May be harmful if inhaled. Material may be irritating to mucous membranes and upper respiratory tract. Ingestion: May be harmful if swallowed. 12 - Ecological Information No data available. 13 - Disposal Considerations ALDRICHwww.molbase.com SUBSTANCE DISPOSAL Contact a licensed professional waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. Observe all federal, state, and local environmental regulations. 14 - Transport Information RID/ADR Non-hazardous for road transport. IMDG Non-hazardous for sea transport. IATA Non-hazardous for air transport. 15 - Regulatory Information CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES INDICATION OF DANGER: Xi Irritant. R-PHRASES: 43 May cause sensitization by skin contact. S-PHRASES: 36/37 Wear suitable protective clothing and gloves. Caution: Substance not yet fully tested (EU). 16 - Other Information WARRANTY The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Inc., shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. Copyright 2010 Co. License granted to make unlimitedpaper copies for internal use only. DISCLAIMER For R&D use only. Not for drug, household or other uses. ALDRICHwww.molbase.com SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水体是稍微有害的，不要将未稀释或大量产品接触地下水，水道或污水系统，未经政府许可勿将材料排入周围环境。

安全

• 危害码 (欧洲): F,C
• 风险声明 (欧洲): R11:Highly Flammable. R34:Causes burns.
• 安全声明 (欧洲): 26-36/37/39-45
• 危险品运输编码: 1672
• WGK德国: 3
• RTECS号: NJ6700000
• 海关编码: 2922499990

合成路线

上下游产品

上游产品  9
67-56-1 10541-83-0 619-45-4 74-88-4
741275-29-6 881005-27-2 68-11-1 94341-53-4
150-13-0
下游产品  5
108191-10-2 108191-11-3 181819-75-0 128742-76-7
556-21-8

海关

海关编码	2922499990
中文概述	2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 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:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	P.进境动植物、动植物产品检疫 Q.出境动植物、动植物产品检疫 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	HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof 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:6.5% General tariff:30.0%