455-87-8

• 常用中文名：4-氨基-3-氟苯甲酸
• 常用英文名：4-Amino-3-fluorobenzoic acid
• CAS号：455-87-8
• 分子式：C₇H₆FNO₂
• 分子量：155.126
• 相关类别： 有机原料 有机氟化合物 氟苯甲酸系列
• 发布时间：2018-08-30 10:04:19
• 更新时间：2024-01-03 13:46:05

名称

• 中文名: 3-氟-4-氨基苯甲酸
• 英文名: 4-Amino-3-fluorobenzoic Acid
• 中文别名: 4-氨基-3-氟苯酸; 4-氨基-3-氟苯甲酸
• 英文别名: EINECS 207-250-1; MFCD01660374; 4-Amino-3-fluorobenzoic acid; ZR BF DVQ; Benzoic acid, 4-amino-3-fluoro-

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 320.8±27.0 °C at 760 mmHg
• 熔点: 215-218°C
• 分子式: C₇H₆FNO₂
• 分子量: 155.126
• 闪点: 147.8±23.7 °C
• 精确质量: 155.038254
• PSA: 63.32000
• LogP: 1.39
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.606
• 储存条件:

  密封保存，放置于通风、干燥地方，避免于其他氧化物接触。

• 稳定性:

  按规格使用和贮存，不会发生分解，避免与氧化物接触

• 分子结构:

  1、 摩尔折射率：37.41

  2、 摩尔体积（m³/mol）：108.4

  3、 等张比容（90.2K）：302.3

  4、 表面张力（dyne/cm）：60.4

  5、 极化率（10 ^-24cm ³）：14.83

• 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：4

  4、 可旋转化学键数量：1

  5、 互变异构体数量：2

  6、 拓扑分子极性表面积（TPSA）：63.3

  7、 重原子数量：11

  8、 表面电荷：0

  9、 复杂度：163

  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/ m³,25/4℃）：未确定

  3. 相对蒸汽密度（g/cm³,空气=1）：未确定

  4. 熔点（ºC）：215-218

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºF）：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,25ºC）：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（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

4-Amino-3-fluorobenzoic Acid Revision number: 1 SAFETY DATA SHEET Section1. BASE INFORMATION Product name:4-Amino-3-fluorobenzoic Acid Revision number:1 Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDS Category 2 Skin corrosion/irritation Serious eye damage/eye irritationCategory 2A Not classified ENVIRONMENTAL HAZARDS GHS label elements Pictograms or hazard symbols Signal wordWarning Hazard statementCauses skin irritation Causes serious eye irritation Precautionary statements [Prevention]Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. [Response]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. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):4-Amino-3-fluorobenzoic Acid Percent:>98.0%(LC)(T) CAS Number:455-87-8 Chemical Formula:C7H6FNO2 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. 4-Amino-3-fluorobenzoic Acid Section4. FIRST AID MEASURES 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. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. 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: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing 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. 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: 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. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:crystal - powder Color:White - Slightly pale reddish yellow Odor:No data available pH: No data available Melting point/freezing point:No data available Boiling Point/Range:No data available 4-Amino-3-fluorobenzoic Acid Section9. PHYSICAL AND CHEMICAL PROPERTIES Flash Point:No data available Explosive limits Lower:No data available No data available Upper: Density:No data available No data available Solubility: Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen fluoride Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:ivn-mus LD50:100 mg/kg Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available DG2525000 RTECS Number: Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available 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 Soil adsorption (Koc):No data available 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 UN-No:Not Listed 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. 4-Amino-3-fluorobenzoic Acid SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 急性毒性：小鼠经静脉LD50：100mg/kg，除致死剂量外无详细说明； 生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。 CHEMICAL IDENTIFICATION RTECS NUMBER : DG2525000 CHEMICAL NAME : Benzoic acid, 4-amino-3-fluoro- CAS REGISTRY NUMBER : 455-87-8 BEILSTEIN REFERENCE NO. : 2717314 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C7-H6-F-N-O2 MOLECULAR WEIGHT : 155.14 WISWESSER LINE NOTATION : ZR BF DVQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03056

安全

• 危害码 (欧洲): Xi: Irritant;
• 海关编码: 2922499990

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海关

海关编码	2922499990
中文概述	2922499990 其他氨基酸及其酯及它们的盐（含有一种以上含氧基的除外）. 增值税率:17.0% 退税率:9.0% 监管条件:AB(入境货物通关单,出境货物通关单) 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
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	P.进境动植物、动植物产品检疫 Q.出境动植物、动植物产品检疫 R.进口食品卫生监督检验 S.出口食品卫生监督检验 M.进口商品检验 N.出口商品检验
Summary	HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%