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| 中文名 | R(-)-4-氰基-3-羟基丁酸乙酯 |
|---|---|
| 英文名 | Ethyl (R)-(-)-4-cyano-3-hydroxybutyate |
| 中文别名 |
4-氰基-3-羟基丁酸乙酯
侧链ATS-5 (R)-(-)-3-羟基-4-氰基丁酸乙酯 (R)-4-氰基-3-羟基丁酸乙酯 (R)-(-)-4-氰基-3-羟基丁酸乙酯 阿托伐他汀中间体Ats-5 |
| 英文别名 |
EINECS 430-220-6
Ethyl (3R)-4-cyano-3-hydroxybutanoate Ethyl-(R)-(+)-4-Cyano-3-Hydroxybutanoate Butanoic acid, 4-cyano-3-hydroxy-, ethyl ester, (3R)- MFCD00672878 Ethyl (R)-(-)-4-cyano-3-hydroxybutyrate Ethyl (R)-4-cyano-3-hydroxybutanoate Ethyl (R)-(−)-4-cyano-3-hydroxybutyrate ATS-5 (R)-(-)-4-Cyano-3-hydroxybutyric acid ethyl ester (R)-(-)-4-Cyano-3-hydroxybutyratic acid,ethyl ester NC1YQ1VO2 &&R Form RETINCIC ACID |
| 密度 | 1.1±0.1 g/cm3 |
|---|---|
| 沸点 | 325.6±27.0 °C at 760 mmHg |
| 分子式 | C7H11NO3 |
| 分子量 | 157.167 |
| 闪点 | 150.7±23.7 °C |
| 精确质量 | 157.073898 |
| PSA | 70.32000 |
| LogP | -0.24 |
| 外观性状 | 黄色液体 |
| 蒸汽压 | 0.0±1.6 mmHg at 25°C |
| 折射率 | 1.455 |
| 储存条件 | 保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置 |
| 稳定性 | 如果遵照规格使用和储存则不会分解，未有已知危险反应 避免氧化物、酸 |
| 分子结构 | 1、摩尔折射率：37.66 2、摩尔体积（cm3/mol）：138.8 3、等张比容（90.2K）：357.7 4、表面张力（dyne/cm）：44.1 5、介电常数：无可用的 6、极化率（10-24cm3）：14.92 7、单一同位素质量：157.073893 Da 8、标称质量：157 Da 9、平均质量：157.1671 Da |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:-0.5 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:5 5.互变异构体数量:无 6.拓扑分子极性表面积70.3 7.重原子数量:11 8.表面电荷:0 9.复杂度:170 10.同位素原子数量:0 11.确定原子立构中心数量:1 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：无色的液体 2. 密度（g/mL,20℃）：1.114 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）：270 6. 沸点（ºC,KPa）：未确定 7. 折射率：n20/D 1.448 8. 闪点（ºC）：>110 9. 比旋光度（º）：-5 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（Pa,20ºC）：未确定 12. 饱和蒸气压（KPa,20ºC）：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：不溶于水 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. Chronic: Not available. 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. Ingestion: Get medical aid. Wash mouth out with 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: Treat symptomatically and supportively. 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. Extinguishing Media: Use water spray, dry chemical, or foam. Do NOT use carbon dioxide. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Store in a cool, dry place. Store in a tightly closed container. 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 adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 141942-85-0: Personal Protective Equipment Eyes: Not available. 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: Clear liquid Color: light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: > 270 deg C Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 190 deg C (> 374.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Soluble. Specific Gravity/Density: 1.114 Molecular Formula: C7H11NO3 Molecular Weight: 157.17 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: High temperatures, incompatible materials, light, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 141942-85-0 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl (R)-4-cyano-3-hydroxybutanoate - 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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 141942-85-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 141942-85-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 141942-85-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。
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| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H315-H319-H335 |
| 警示性声明 | P261-P305 + P351 + P338 |
| 个人防护装备 | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| 危害码 (欧洲) | Xi:Irritant |
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | 26-36 |
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 1 |
| 海关编码 | 2926909090 |
| 上游产品 10 | |
|---|---|
| 下游产品 4 | |
| 海关编码 | 2926909090 |
|---|---|
| 中文概述 | 2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 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 |
| Summary | HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
