93919-56-3

• 常用中文名：4-(三氟甲氧基)苄胺
• 常用英文名：4-(Trifluoromethoxy)benzylamine
• CAS号：93919-56-3
• 分子式：C₈H₈F₃NO
• 分子量：191.150
• 发布时间：2018-06-19 19:31:05
• 更新时间：2024-01-04 18:02:42
• 下载msds

名称

• 中文名: 4-(三氟甲氧基)苯甲胺
• 英文名: 4-(trifluoromethoxy)benzylamine
• 中文别名: 4-(三氟甲氧基)苄胺
• 英文别名: Z1R DOXFFF; 1-[4-(Trifluoromethoxy)phenyl]methanamine; EINECS 300-040-1; Benzenemethanamine, 4-(trifluoromethoxy)-; 4-(Trifluoromethoxy)benzenemethanamine; 4-(Trifluoromethoxy)benzylamine; [4-(Trifluoromethoxy)phenyl]methanamine; p-(Trifluoromethoxy)benzylamine; MFCD00061237

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 172.5±0.0 °C at 760 mmHg
• 分子式: C₈H₈F₃NO
• 分子量: 191.150
• 闪点: 77.8±0.0 °C
• 精确质量: 191.055801
• PSA: 35.25000
• LogP: 2.04
• 外观性状: 透明无色至淡黄色液体
• 蒸汽压: 1.3±0.3 mmHg at 25°C
• 折射率: 1.471
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。远离氧化剂。

• 稳定性:

  常温常压下稳定，避免与强氧化剂接触。

• 计算化学:

  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:5

  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35.2

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:152

  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：无色液体

  2. 密度（g/mL,25℃）：1.252

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC，10mmHg）：57-60

  7. 折射率(n20/D)：1.452

  8. 闪点（ºC）：77

  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（mmHg,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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：未确定

MSDS

Name: 4-(Trifluoromethoxy)benzylamine 97+% (gc) Material Safety Data Sheet Synonym: 4-(Aminomethyl)-alpha, alpha, alpha-trifluoromethoxybenzen CAS: 93919-56-3 Section 1 - Chemical Product MSDS Name:4-(Trifluoromethoxy)benzylamine 97+% (gc) Material Safety Data Sheet Synonym:4-(Aminomethyl)-alpha, alpha, alpha-trifluoromethoxybenzen Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 93919-56-3 4-(Trifluoromethoxy)benzylamine 97+ 300-040-1 Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: The toxicological properties of this substance have not been fully investigated. 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. 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. Will burn if involved in a fire. Combustible liquid. 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. Use only in a chemical fume hood. Storage: Keep away from sources of ignition. 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# 93919-56-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: clear, colorless Odor: Amine odor. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 57 - 60 deg C @ 10.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 77 deg C ( 170.60 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.2520g/cm3 Molecular Formula: C8H8F3NO Molecular Weight: 191.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stability unknown. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong acids - strong bases - strong oxidizing agents - strong reducing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 93919-56-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-(Trifluoromethoxy)benzylamine - 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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 93919-56-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 93919-56-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 93919-56-3 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: 对水稍微危害，避免未稀释或大量的产品接触地下水、水道或污水系统。 若无政府许可，勿将材料排入周围环境。

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: UN2735
• WGK德国: 3
• 包装等级: III
• 危险类别: 8
• 海关编码: 2922199090

合成路线

659-28-9 ~% 93919-56-3

文献：Journal of Medicinal Chemistry, , vol. 49, # 21 p. 6197 - 6208

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海关

海关编码	2922199090
中文概述	2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
Summary	2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%