17841-68-8

• 常用中文名：3-氨甲基苯甲酸甲酯盐酸盐
• 常用英文名：Methyl 3-aminomethylbenzoate HCl
• CAS号：17841-68-8
• 分子式：C₉H₁₂ClNO₂
• 分子量：201.650
• 相关类别： 化学试剂 有机试剂 酯类 其他酯类化合物
• 发布时间：2018-06-17 21:50:40
• 更新时间：2024-01-02 09:23:48

名称

• 中文名: 3-氨甲基苯甲酸甲酯盐酸盐
• 英文名: methyl 3-(aminomethyl)benzoate,hydrochloride
• 中文别名: 3-(氨甲基)苯甲酸甲酯盐酸盐; 3-氨基甲基-苯甲酸甲酯盐酸盐; 3-氨基甲基苯甲酸甲酯 盐酸盐
• 英文别名: methyl 3-(aminomethyl)benzoate,chloride; Benzoic acid, 3-(aminomethyl)-, methyl ester, hydrochloride (1:1); 3-Aminomethyl-benzoic acid methyl ester hydrochloride; 3-Aminomethylbenzoic acid methyl ester hydrochloride; Methyl 3-(aminomethyl)benzoate Hydrochloride; MFCD04039173; Methyl 3-(aminomethyl)benzoate hydrochloride (1:1); Methyl 3-aminomethylbenzoate HCl

物化性质

• 沸点: 279.8ºC at 760mmHg
• 熔点: 179-181ºC
• 分子式: C₉H₁₂ClNO₂
• 分子量: 201.650
• 闪点: 139ºC
• 精确质量: 201.055649
• PSA: 52.32000
• LogP: 2.43420
• 蒸汽压: 0.00393mmHg at 25°C
• 折射率: 1.543
• 储存条件: 室温，干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  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:无

  6.拓扑分子极性表面积52.3

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:159

  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:2

MSDS

Name: 3-Aminomethylbenzoic acid methyl ester hydrochloride Material Safety Data Sheet Synonym: CAS: 17841-68-8 Section 1 - Chemical Product MSDS Name:3-Aminomethylbenzoic acid methyl ester hydrochloride Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 17841-68-8 3-Aminomethylbenzoic acid methyl ester 95+% unlisted Hazard Symbols: XN Risk Phrases: 21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Causes respiratory tract irritation. 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: 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# 17841-68-8: 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: Solid Color: White Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 177 - 179 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: C9H11NO2.HCl Molecular Weight: 201.65 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 17841-68-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Aminomethylbenzoic acid methyl ester hydrochloride - 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 21/22 Harmful in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 22 Do not breathe dust. S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 17841-68-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 17841-68-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 17841-68-8 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): Xn: Harmful;
• 风险声明 (欧洲): R21/22;R36/37/38
• 安全声明 (欧洲): 22-26-36/37/39
• 海关编码: 2922499990

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%