887267-47-2

• 常用中文名：2-溴-5-(三氟甲氧基)苯胺
• 常用英文名：2-Bromo-5-(trifluoromethoxy) aniline
• CAS号：887267-47-2
• 分子式：C₇H₅BrF₃NO
• 分子量：256.020
• 相关类别： 化学试剂 有机试剂 芳烃
• 发布时间：2018-04-19 08:00:00
• 更新时间：2024-01-05 19:29:00

名称

• 中文名: 2-溴-5-(三氟甲氧基)苯胺
• 英文名: 2-Bromo-5-(trifluoromethoxy)aniline
• 中文别名: 2-溴-5-(三氟甲基)苯胺; 2-氨基-1-溴-4-(三氟甲氧基)苯; 2 -溴- 5 -三氟甲氧基苯胺; 3-氨基-4-溴-α,α,α-三氟苯甲醚
• 英文别名: Benzenamine, 2-bromo-5-(trifluoromethoxy)-; 2-Bromo-5-(trifluoromethoxy) aniline; MFCD08458013; 2-Bromo-5-(trifluoromethoxy)aniline

物化性质

• 密度: 1.7±0.1 g/cm3
• 沸点: 234.7±35.0 °C at 760 mmHg
• 分子式: C₇H₅BrF₃NO
• 分子量: 256.020
• 闪点: 95.7±25.9 °C
• 精确质量: 254.950653
• PSA: 35.25000
• LogP: 3.39
• 蒸汽压: 0.1±0.5 mmHg at 25°C
• 折射率: 1.523
• 储存条件: 室温
• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：45.31

  2、 摩尔体积（m³/mol）：148.2

  3、 等张比容（90.2K）：363.8

  4、 表面张力（dyne/cm）：36.2

  5、 极化率（10 ^-24cm ³）：17.96

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.1

  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:1

  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:176

  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：未确定

  2. 密度（g/mL20 ºC）：1.71

  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（ºC0.35mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（º F）：未确定

  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（kPa,）：未确定

  12. 饱和蒸气压（kPa,60ºC）：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（正辛醇/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

Revision number: 1 2-Bromo-5-(trifluoromethoxy)aniline SAFETY DATA SHEET Section1. BASE INFORMATION 2-Bromo-5-(trifluoromethoxy)aniline Product name: 1 Revision number: Section2. HAZARDS IDENTIFICATION Classification of the GHS Not classified PHYSICAL HAZARDS HEALTH HAZARDS Category 4 Acute toxicity (Oral) Category 4 Acute toxicity (Dermal) Category 4 Acute toxicity (Inhalation) Category 2 Skin corrosion/irritation Category 2A Serious eye damage/eye irritation Not classified ENVIRONMENTAL HAZARDS GHS label elements Pictograms or hazard symbols Warning Signal word Harmful by inhalation, in contact with skin and if swallowed Hazard statement Causes skin irritation Causes serious eye irritation Precautionary statements Avoid breathing. [Prevention] Use only outdoors or in a well-ventilated area. Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. Wear protective gloves and eye/face protection. IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for [Response] breathing. Call a POISON CENTER or doctor/physician if you feel unwell. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Wash contaminated clothing before reuse. Call a POISON CENTER or doctor/physician if you feel unwell. Dispose of contents/container through a waste management company authorized by [Disposal] the local government 2-Bromo-5-(trifluoromethoxy)aniline Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance Substance/mixture: 2-Bromo-5-(trifluoromethoxy)aniline Component(s): >98.0%(GC) Percent: 887267-47-2 CAS Number: 2-Amino-1-bromo-4-(trifluoromethoxy)benzene , 3-Amino-4-bromo-α,α,α- Synonyms: trifluoroanisole C7H5BrF3NO Chemical Formula: Section4. FIRST AID MEASURES Remove victim to fresh air and keep at rest in a position comfortable for breathing. Inhalation: Call a POISON CENTER or doctor/physician if you feel unwell. Remove/Take off immediately all contaminated clothing. Gently wash with plenty of Skin contact: soap and water. If skin irritation or rash occurs: Get medical advice/attention. Rinse cautiously with water for several minutes. Remove contact lenses, if present Eye contact: and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth. Ingestion: A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Dry chemical, foam, water spray, carbon dioxide. Suitable extinguishing media: Extinguishing media not to Solid streams of water be used: Take care as it may decompose upon combustion or in high temperatures to Specific hazards: generate poisonous fume. Fire-extinguishing work is done from the windward and the suitable fire-extinguishing Specific methods: method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. When extinguishing fire, be sure to wear personal protective equipment. Special protective equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Ensure adequate ventilation. Entry to non-involved personnel should be controlled emergency procedures: around the leakage area by roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust). containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected up: material should be promptly disposed of, in accordance with appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent generation of vapor or mist. Wash hands and face thoroughly after handling. Use a ventilation, local exhaust if vapor or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Storage Keep container tightly closed. Store in a cool and dark place. Storage conditions: Store away from incompatible materials such as oxidizing agents. Law is followed. Packaging material: 2-Bromo-5-(trifluoromethoxy)aniline Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust as possible so that workers should not be Engineering controls: exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Vapor respirator. Follow local and national regulations. Protective gloves. Hand protection: Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Liquid Physical state (20°C): clear Form: Pale yellow - Yellow Color: No data available Odor: pH: No data available Melting point/freezing point:No data available No data available Boiling Point/Range: No data available Flash Point: Explosive limits No data available Lower: No data available Upper: 1.71 Density: No data available Solubility: Section10. STABILITY AND REACTIVITY Stable under proper conditions. Stability: No special reactivity has been reported. Reactivity: Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen fluoride, Hydrogen bromide Products: Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: No data available Germ cell mutagenicity: Carcinogenicity: No data available IARC = No data available NTP = No data available Reproductive toxicity: Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: No data available Crustacea: No data available Algae: Persistence / degradability: No data available No data available Bioaccumulative potential(BCF): Mobillity in soil No data available log Pow: No data available Soil adsorption (Koc): No data available Henry's Law constant(PaM3/mol): 2-Bromo-5-(trifluoromethoxy)aniline Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Does not correspond to the classification standard of the United Nations Hazards Class: Not Listed UN-No: Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi
• 海关编码: 2922299090

合成路线

1535-73-5 ~% 887267-47-2

文献：WO2009/3077 A1, ; Page/Page column 140 ;

1535-73-5 ~% 116369-25-6 887267-47-2

文献：WO2011/3684 A1, ; Page/Page column 25 ;

海关

海关编码	2922299090
中文概述	2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有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	2922299090. other amino-naphthols and other amino-phenols, 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%