中文名 | N-乙酰-DL-4-氟苯基苯胺 |
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英文名 | n-acetyl-4-fluoro-dl-phenylalanine |
中文别名 |
N-乙酰-DL-4-氟苯丙氨酸
N-乙酰-DL-4-氟苯基丙氨酸 N-乙酰基-4-氟-DL-苯丙氨酸 |
英文别名 |
EINECS 241-495-5
2-acetamido-3-(4-fluorophenyl)propanoic acid MFCD00017983 N-Acetyl-DL-4-fluorophenylalanine |
密度 | 1.273g/cm3 |
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沸点 | 458.9ºC at 760mmHg |
熔点 | 150-153 °C(lit.) |
分子式 | C11H12FNO3 |
分子量 | 225.21600 |
闪点 | 231.3ºC |
精确质量 | 225.08000 |
PSA | 66.40000 |
LogP | 1.34840 |
外观性状 | 白色粉末 |
蒸汽压 | 3.25E-09mmHg at 25°C |
储存条件 | 常温密闭避光,通风干燥 |
稳定性 | 常温常压下稳定 避免的物料:氧化物 |
分子结构 | 1、 摩尔折射率:54.84 2、 摩尔体积(m3/mol):176.9 3、 等张比容(90.2K):462.5 4、 表面张力(dyne/cm):46.7 5、 极化率(10-24cm3):21.74 |
计算化学 | 1.疏水参数计算参考值(XlogP):无 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:4 5.互变异构体数量:2 6.拓扑分子极性表面积66.4 7.重原子数量:16 8.表面电荷:0 9.复杂度:262 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:1 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:不确定 2. 密度(g/mL,25/4℃):不确定 3. 相对蒸汽密度(g/mL,空气=1):不确定 4. 熔点(ºC):150-153(lit.) 5. 沸点(ºC,常压):不确定 6. 沸点(ºC, 5.2kPa):不确定 7. 折射率:不确定 8. 闪点(ºC):不确定 9. 比旋光度(º):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 |
Synonym:Non Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: 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. 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: 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. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use water fog, dry chemical, carbon dioxide, or regular foam. Use agent most appropriate to extinguish fire. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use only in a well-ventilated area. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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 process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels. Exposure Limits CAS# 17481-06-0: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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: Crystals Color: colorless, white semi-transparent Odor: aromatic odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 150 - 153 deg C 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: C11H12FNO3 Molecular Weight: 225.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Has not been fully evaluated. Conditions to Avoid: Incompatible materials, none reported, dust generation, excess heat, strong oxidants. Incompatibilities with Other Materials: Oxidizing materials. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 17481-06-0 unlisted. LD50/LC50: Not available. Carcinogenicity: N-Acetyl-4-fluoro-DL-phenylalanine - 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: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 17481-06-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 17481-06-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 17481-06-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
生态学数据: 通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。
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危害码 (欧洲) | Xi: Irritant; |
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安全声明 (欧洲) | S24/25 |
危险品运输编码 | NONH for all modes of transport |
WGK德国 | 3 |
海关编码 | 2924299090 |
~44% 17481-06-0 |
文献:Hoefling, Sarah B.; Hultsch, Christina; Wester, Hans-Juergen; Heinrich, Markus R. Tetrahedron, 2008 , vol. 64, # 52 p. 11846 - 11851 |
~% 17481-06-0 |
文献:Journal of the American Chemical Society, , vol. 72, p. 1806 |
海关编码 | 2924299090 |
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中文概述 | 2924299090. 其他环酰胺(包括环氨基甲酸酯)(包括其衍生物以及他们的盐). 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, 包装 |
Summary | 2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |