399-96-2

• 常用中文名：4-氨基-2-氟苯酚
• 常用英文名：4-Amino-2-fluorophenol
• CAS号：399-96-2
• 分子式：C₆H₆FNO
• 分子量：127.116
• 相关类别： 有机原料 有机氟化合物 氟苯酚系列
• 发布时间：2018-04-02 08:00:00
• 更新时间：2024-01-01 19:21:15

名称

• 中文名: 4-氨基-2-氟苯酚
• 英文名: 4-Amino-2-fluorophenol
• 中文别名: 3-氟-4-羟基苯胺; 2-氟-4-氨基苯酚
• 英文别名: 4-Amino-2-fluorophenol; Phenol, 4-amino-2-fluoro-; 3-Fluoro-4-hydroxyaniline; ZR DQ CF; MFCD00671760

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 263.3±25.0 °C at 760 mmHg
• 熔点: 170-172°C
• 分子式: C₆H₆FNO
• 分子量: 127.116
• 闪点: 113.1±23.2 °C
• 精确质量: 127.043343
• PSA: 46.25000
• LogP: 0.34
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.602
• 储存条件: 室温
• 分子结构:

  1、 摩尔折射率：32.36

  2、 摩尔体积（m³/mol）：94.3

  3、 等张比容（90.2K）：255.2

  4、 表面张力（dyne/cm）：53.5

  5、 极化率（10 ^-24cm ³）：12.83

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1

  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:0

  5.互变异构体数量:7

  6.拓扑分子极性表面积46.2

  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:

  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）：170-172

  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

4-Amino-2-fluorophenol Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:4-Amino-2-fluorophenol Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDS Category 4 Acute toxicity (Oral) Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation ENVIRONMENTAL HAZARDSNot classified GHS label elements Pictograms or hazard symbols Signal wordWarning Hazard statementHarmful if swallowed Causes skin irritation Causes serious eye irritation Precautionary statements [Prevention]Do not eat, drink or smoke when using this product. Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell. [Response] 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. Take off contaminated clothing and wash before reuse. [Disposal]Dispose of contents/container through a waste management company authorized by the local government Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):4-Amino-2-fluorophenol Percent:>98.0%(GC)(T) 399-96-2 CAS Number: Synonyms:3-Fluoro-4-hydroxyaniline 4-Amino-2-fluorophenol Section3. COMPOSITION/INFORMATION ON INGREDIENTS Chemical Formula:C6H6FNO Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. If skin irritation or rash occurs: Get medical advice/attention. Eye contact: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. Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth. Ingestion: Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Dry chemical, foam, water spray, carbon dioxide. Suitable extinguishing media: 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. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Avoid contact with skin, eyes and clothing. Advice on safe handling: Storage Keep container tightly closed. Store in a cool and dark place. Storage conditions: Store under inert gas. Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. 4-Amino-2-fluorophenol Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:crystal - powder Pale yellow - Greyish yellow red Color: Odor:No data available pH: No data available Melting point/freezing point:164°C (dec.) No data available Boiling Point/Range: Flash Point:No data available Explosive limits Lower:No data available Upper:No data available Density:No data available Soluble in : Methanol Solubility: Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Conditions to avoid:Air-sensitive Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen fluoride Products: Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available NTP =No data available No data available Reproductive toxicity: Section12. ECOLOGICAL INFORMATION Ecotoxicity: No data available Fish: Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil log Pow:No data available No data available Soil adsorption (Koc): Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and 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 Hazards Class:Does not correspond to the classification standard of the United Nations Not Listed UN-No: 4-Amino-2-fluorophenol 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

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): Xi: Irritant;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2907111000

合成路线

403-19-0 ~99% 399-96-2

文献：Bristol-Myers Squibb Company Patent: US2007/78140 A1, 2007 ; Location in patent: Page/Page column 25-26 ; US 20070078140 A1

366-99-4 144-55-8 ~% 399-96-2

文献：Ishihara Sangyo Kaisha Ltd. Patent: US4861799 A1, 1989 ;

367-12-4 ~% 399-96-2

文献：Aymes, Daniel J.; Paris, Michel R. Bulletin de la Societe Chimique de France, 1980 , vol. 2, # 3-4 p. 175 - 178

402-67-5 ~% 399-96-2

文献：le Guyader,M. Bulletin de la Societe Chimique de France, 1966 , p. 1848 - 1858

1490139-07-5 ~49% 399-96-2

文献：Venugopala, K. Narayanaswamy; Prasanna, Renuka T.; Odhav, Bharti Asian Journal of Chemistry, 2013 , vol. 25, # 15 p. 8685 - 8689

455-93-6 ~% 399-96-2

文献：Berg; Newbery Journal of the Chemical Society, 1949 , p. 642,645

上下游产品

上游产品  6
403-19-0 366-99-4 144-55-8 367-12-4
402-67-5 455-93-6
下游产品  8
394-50-3 437-83-2 320-76-3 2045-39-8
74266-66-3 74266-68-5 2105-94-4 688781-75-1

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%