4863-91-6

• 常用中文名：3-氯-5-氟苯胺
• 常用英文名：3-Chloro-5-fluoroaniline
• CAS号：4863-91-6
• 分子式：C₆H₅ClFN
• 分子量：145.562
• 相关类别： 有机原料 有机氟化合物 氟苯胺系列
• 发布时间：2018-07-03 01:09:18
• 更新时间：2024-01-06 11:45:19
• 下载msds

名称

• 中文名: 3-氯-5-氟苯胺
• 英文名: 3-Chloro-5-fluoroaniline
• 中文别名: 3-氟-5-氯苯胺
• 英文别名: ZR CG EF; 3-Chloro-5-fluoroaniline; MFCD03407962; Benzenamine, 3-chloro-5-fluoro-; 3-Chloro-5-fluorobenzenamine

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 227.8±20.0 °C at 760 mmHg
• 分子式: C₆H₅ClFN
• 分子量: 145.562
• 闪点: 91.6±21.8 °C
• 精确质量: 145.009460
• PSA: 26.02000
• LogP: 1.82
• 外观性状: 透明橙色液体
• 蒸汽压: 0.1±0.4 mmHg at 25°C
• 折射率: 1.570
• 储存条件:

  常温，避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：35.37

  2、 摩尔体积（m³/mol）：107.8

  3、 等张比容（90.2K）：276.1

  4、 表面张力（dyne/cm）：42.9

  5、 极化率（10 ^-24cm ³）：14.02

• 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:2

  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26

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:99.1

  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：棕色液体

  2. 密度：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：不确定

  5. 沸点（ºC）：不确定

  6. 沸点（ºC,25.5mmHg）：不确定

  7. 折射率（nD20）：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º, C=0.25, MeOH）：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

Name: 3-Chloro-5-fluoroaniline 97% Material Safety Data Sheet Synonym: None Known CAS: 4863-91-6 Section 1 - Chemical Product MSDS Name:3-Chloro-5-fluoroaniline 97% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 4863-91-6 3-Chloro-5-fluoroaniline 97% 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 gastrointestinal irritation with nausea, vomiting and diarrhea. Methemoglobinemia is characterized by dizziness, drowsiness, headache, shortness of breath, cyanosis (bluish discoloration of skin due to deficient oxygenation of the blood), rapid heart rate and chocolate-brown colored blood. Overexposure may cause methemoglobinemia. Inhalation: Harmful if inhaled. Causes respiratory tract irritation. May cause methemoglobinemia. 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. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: 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# 4863-91-6: Personal Protective Equipment Eyes: Wear chemical splash goggles. 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 orange Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C6H5ClFN Molecular Weight: 145.56 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4863-91-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Chloro-5-fluoroaniline - 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: OXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: OXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: OXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 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# 4863-91-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4863-91-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4863-91-6 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: 主要的刺激性影响 在皮肤上面：刺激皮肤和粘膜 在眼睛上面：刺激的影响 致敏作用：没有已知的敏化影响 生态学数据: 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

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S36/37/39-S26
• 海关编码: 2921420090

合成路线

33863-76-2 ~51% 4863-91-6

文献：Cheung, Chi Wai; Surry, David S.; Buchwald, Stephen L. Organic Letters, 2013 , vol. 15, # 14 p. 3734 - 3737

4815-64-9 ~% 4863-91-6

文献：Kobrina,L.S.; Yakobson,G.G. J. Gen. Chem. USSR (Engl. Transl.), 1965 , vol. 35, # 11 p. 2055 - 2062,2046 - 2052

625-98-9 ~% 4863-91-6

文献：Kobrina,L.S.; Yakobson,G.G. J. Gen. Chem. USSR (Engl. Transl.), 1965 , vol. 35, # 11 p. 2055 - 2062,2046 - 2052

上下游产品

上游产品  3
33863-76-2 4815-64-9 625-98-9
下游产品  1
885520-79-6

海关

海关编码	2921420090
中文概述	2921420090 其他苯胺衍生物及其盐. 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
Summary	HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%