368-71-8

• 常用中文名：4-三氟甲基邻苯二胺
• 常用英文名：4-(Trifluormethyl)benzol-1,2-diamin
• CAS号：368-71-8
• 分子式：C₇H₇F₃N₂
• 分子量：176.139
• 发布时间：2018-08-05 13:09:23
• 更新时间：2024-01-02 05:22:44
• 用作医药、农药中间体

名称

• 中文名: 3,4-二胺基苄氧基三氟化物
• 英文名: 3,4-diaminobenzotrifluoride
• 中文别名: 4-三氟甲基邻苯二胺; 4-三氟甲基-1,2-苯二胺; 3,4-二氨基三氟甲苯
• 英文别名: 4-trifluoromethyl-1,2-diaminobenzene; 4-(Trifluoromethyl)-1,2-phenylenediamine; 1,2-Diamino-4-trifluoromethylbenzene; 4-(trifluoromethyl)benzene-1,2-diamine; 4-Trifluoromethyl-1,2-phenylenediamine; 4-(Trifluoromethyl)-1,2-benzenediamine; 5-trifluoromethyl-o-phenylenediamine; 1,2-Benzenediamine, 4-(trifluoromethyl)-; 3,4-DIAMINOTRIFLUOROMETHYLBENZENE; 4-Trifluoromethyl-o-phenylenediamine; 4-(Trifluoromethyl)-o-phenylenediamine; Benzene-1,2-diami; 4-(Trifluormethyl)benzol-1,2-diamin; MFCD00042456; 3,4-DIAMINO BENZOTRIFLUORIDE

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 252.7±40.0 °C at 760 mmHg
• 熔点: 56-58 °C
• 分子式: C₇H₇F₃N₂
• 分子量: 176.139
• 闪点: 111.2±18.0 °C
• 精确质量: 176.056137
• PSA: 52.04000
• LogP: 1.95
• 外观性状: 灰色至棕色固体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.535
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：39.70

  2、 摩尔体积（m³/mol）：127.5

  3、 等张比容（90.2K）：316.1

  4、 表面张力（dyne/cm）：37.7

  5、 极化率（10 ^-24cm ³）：15.74

• 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:5

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积52

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:157

  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

  性状：不可用

  密度（g/mL,25/4℃）：不可用

  相对蒸汽密度（g/mL,空气=1）：不可用

  熔点（ºC）：56-58

  沸点（ºC,常压）：不可用

  沸点（ºC,5.2kPa）：不可用

  折射率：不可用

  闪点（ºC）：不可用

  比旋光度（º）：不可用

  自燃点或引燃温度（ºC）：不可用

  蒸气压（kPa,25ºC）：不可用

  饱和蒸气压（kPa,60ºC）：不可用

  燃烧热（KJ/mol）：不可用

  临界温度（ºC）：不可用

  临界压力（KPa）：不可用

  油水（辛醇/水）分配系数的对数值：不可用

  爆炸上限（%,V/V）：不可用

  爆炸下限（%,V/V）：不可用

  溶解性：不可用

MSDS

Name: 4-(Trifluoromethyl)-1 2-phenylenediamine Material Safety Data Sheet Synonym: None Known CAS: 368-71-8 Section 1 - Chemical Product MSDS Name:4-(Trifluoromethyl)-1 2-phenylenediamine Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 368-71-8 4-(Trifluoromethyl)-1,2-phenylenediami 99 unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately 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. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation. 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Storage: Store in a cool, dry place. Store in a tightly closed container. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 368-71-8: 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: Powder Color: grey - brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 58 - 60 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: C7H7F3N2 Molecular Weight: 176.14 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen cyanide, carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen fluoride gas, nitric acid. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 368-71-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-(Trifluoromethyl)-1,2-phenylenediamine - 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 Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. 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 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 368-71-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 368-71-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 368-71-8 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

毒理学数据: 二、毒理学数据： 急性毒性：不可用。 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。

安全

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R20/21/22;R36/37/38
• 安全声明 (欧洲): S36/37/39-S26
• 海关编码: 2921590090

合成路线

400-98-6 ~98% 368-71-8

文献：Takano, Yasuo; Shiga, Futoshi; Asano, Jun; Hori, Wataru; Fukuchi, Kazunori; Anraku, Tsuyoshi; Uno, Takashi Bioorganic and Medicinal Chemistry, 2006 , vol. 14, # 3 p. 776 - 792

402-14-2 ~% 368-71-8

文献：Keana; Kher; Sui Xiong Cai; Dinsmore; Glenn; Guastella; Huang; Ilyin; Lu; Mouser; Woodward; Weber Journal of Medicinal Chemistry, 1995 , vol. 38, # 22 p. 4367 - 4379

7732-18-5 400-98-6 ~85% 368-71-8

文献：The State of Oregon, acting by and through The Oregon State Board of Higher Education, acting for and on behalf of The Oregon Health Sciences University; The University of Oregon; The Regents of the University of California Patent: US5514680 A1, 1996 ; US 5514680 A

3663-35-2 ~% 1124-38-5 368-71-8

文献：Eli Lilly and Company Patent: US3962440 A1, 1976 ;

上下游产品

上游产品  4
400-98-6 402-14-2 7732-18-5 3663-35-2
下游产品  10
1095824-21-7 194423-79-5 2078-01-5 194423-80-8
86604-73-1 86604-86-6 133687-93-1 102729-48-6
1548-67-0 10057-46-2

海关

海关编码	2921590090
中文概述	2921590090. 其他芳香多胺及衍生物及它们的盐. 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
Summary	2921590090. other aromatic polyamines and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%