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| 中文名 | 2-(1-吡咯烷基)苯酚 |
|---|---|
| 英文名 | 2-pyrrolidin-1-ylphenol |
| 中文别名 | 2-(1-吡咯烷)苯酚 |
| 英文别名 |
2,6-DICHLORO-5-FLUORO-N-ISOPROPYLNICOTINAMIDE
MFCD00051659 pyrrolidinyl phenol 2-(1-Pyrrolidinyl)phenol o-pyrrolidinophenol 2-pyrrolidinophenol 2-pyrrolidinylphenol 2-(1-PYRROLIDINO)PHENOL 2-pyrrolidin-1-yl-phenol |
| 密度 | 1.146g/cm3 |
|---|---|
| 沸点 | 279.1ºC at 760mmHg |
| 熔点 | 108-112 °C |
| 分子式 | C10H13NO |
| 分子量 | 163.21600 |
| 闪点 | 139.6ºC |
| 精确质量 | 163.10000 |
| PSA | 23.47000 |
| LogP | 2.05740 |
| 外观性状 | 米色至棕色结晶粉末 |
| 折射率 | 1.594 |
| 储存条件 | 常温，避光，通风干燥处，密封保存 |
| 稳定性 | 常温常压下稳定 |
| 分子结构 | 1、 摩尔折射率：48.33 2、 摩尔体积（m3/mol）：142.3 3、 等张比容（90.2K）：375.9 4、 表面张力（dyne/cm）：48.5 5、 极化率（10 -24cm 3）：19.16 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:2.2 2.氢键供体数量:1 3.氢键受体数量:2 4.可旋转化学键数量:1 5.互变异构体数量:3 6.拓扑分子极性表面积23.5 7.重原子数量:12 8.表面电荷:0 9.复杂度:143 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：不确定 2. 密度(g/mL,25°C)：不确定 3. 相对蒸汽密度（g/mL,空气=1）：不确定 4. 熔点（ºC）：118 5. 沸点（ºC,常压）：不确定 6. 沸点（ºC,715mmHg）：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:N-(2-Hydroxyphenyl)pyrrolidin 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, carbon dioxide, or chemical foam. 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. 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# 4787-77-3: 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: Crystalline powder Color: beige to brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 108 - 112 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: Insoluble. Specific Gravity/Density: Molecular Formula: C10H13NO Molecular Weight: 163.22 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4787-77-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-(1-Pyrrolidino)phenol - 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# 4787-77-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4787-77-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4787-77-3 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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| 危害码 (欧洲) | Xn: Harmful; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S36/37/39-S26 |
| 海关编码 | 2933990090 |
|
~82%
4787-77-3 |
| 文献：Nicolaou; Harrison, Scott T. Journal of the American Chemical Society, 2007 , vol. 129, # 2 p. 429 - 440 |
|
~58%
4787-77-3 |
| 文献：PE Corporation Patent: US6191278 B1, 2001 ; |
|
~%
4787-77-3 |
| 文献：Sommers Journal of the American Chemical Society, 1956 , vol. 78, p. 2439,2445 |
|
~%
4787-77-3 |
| 文献：Sommers Journal of the American Chemical Society, 1956 , vol. 78, p. 2439,2445 |
|
~91%
4787-77-3 |
| 文献：Hargis, Duane C.; Shubkin, Ronald L. Tetrahedron Letters, 1990 , vol. 31, # 21 p. 2991 - 2994 |
| 海关编码 | 2933990090 |
|---|---|
| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 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:20.0% |
| 申报要素 | 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期 |
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
