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| 中文名 | 2-氨基-5-氟苯甲酸甲酯 |
|---|---|
| 英文名 | methyl 2-amino-5-fluorobenzoate |
| 英文别名 |
MFCD03791308
2-Amino-5-fluorobenzoic acid methyl ester Benzoic acid, 2-amino-5-fluoro-, methyl ester 2-Amino-5-fluor-benzoesaeure-methylester methyl 5-fluoroanthranilate methyl2-amino-5-fluorobenzoate Methyl 2-amino-5-fluorobenzoate 2-amino-5-fluoro-benzoic acid methyl ester |
| 密度 | 1.3±0.1 g/cm3 |
|---|---|
| 沸点 | 265.3±25.0 °C at 760 mmHg |
| 熔点 | 34-37°C |
| 分子式 | C8H8FNO2 |
| 分子量 | 169.153 |
| 闪点 | 114.2±23.2 °C |
| 精确质量 | 169.053909 |
| PSA | 52.32000 |
| LogP | 2.45 |
| 蒸汽压 | 0.0±0.5 mmHg at 25°C |
| 折射率 | 1.544 |
| 储存条件 | 2-8°C |
| 分子结构 | 1、 摩尔折射率：42.25 2、 摩尔体积（m3/mol）：133.8 3、 等张比容（90.2K）：345.0 4、 表面张力（dyne/cm）：44.2 5、 极化率（10 -24cm 3）：16.75 |
| 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:4 4.可旋转化学键数量:2 5.互变异构体数量:4 6.拓扑分子极性表面积52.3 7.重原子数量:12 8.表面电荷:0 9.复杂度:174 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℃）：1.26 相对蒸汽密度（g/mL,空气=1）：不可用 熔点（ºC）：34-37 沸点（ºC,常压）：100-102 沸点（ºC,5.2kPa）：不可用 折射率：不可用 闪点（ºC）：132 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 |
|
Material Safety Data Sheet
Section1. Identification of the substance Product Name: Methyl 2-amino-5-fluorobenzoate Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H402:Harmful to aquatic life
H412:Harmful to aquatic life with long lasting effects P273:Avoid release to the environment Section3. Composition/information on ingredients. Ingredient name:Methyl 2-amino-5-fluorobenzoate CAS number:319-24-4 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified Boiling point:No data Melting point:No data Flash point:No data Density:No data Molecular formula:C8H8FNO2 Molecular weight:169.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen fluoride. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A |
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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。
|
| 危害码 (欧洲) | Xi |
|---|---|
| 安全声明 (欧洲) | S22-S24/25 |
| 海关编码 | 2922499990 |
|
~86%
319-24-4 |
| 文献：MILLENNIUM PHARMACEUTICALS, INC. Patent: WO2005/28474 A2, 2005 ; Location in patent: Page/Page column 201-202 ; WO 2005/028474 A2 |
|
~43%
319-24-4 |
| 文献：LABORATORIOS ALMIRALL, S.A. Patent: WO2009/21696 A1, 2009 ; Location in patent: Page/Page column 65-66 ; WO 2009/021696 A1 |
|
~%
319-24-4 |
| 文献：WO2007/9774 A1, ; Page/Page column 22 ; WO 2007/009774 A1 |
|
~10%
319-24-4 |
| 文献：Schuler, Elisabeth; Juanico, Nacho; Teixido, Jordi; Michelotti, Enrique L.; Borrell, Jose I. Heterocycles, 2006 , vol. 67, # 1 p. 161 - 173 |
|
~%
319-24-4 |
| 文献：Journal of the American Chemical Society, , vol. 66, p. 1165 |
|
~%
319-24-4 |
| 文献：Journal of the American Chemical Society, , vol. 66, p. 1165 |
| 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% |
