| 中文名 | 4-戊基苄腈 |
|---|---|
| 英文名 | 4-pentylbenzonitrile |
| 中文别名 | 4-戊基苯甲腈 |
| 英文别名 |
4-n-Pentylbenzonitril
4-Pentyl-Benzonitrile 4-pentylbenzenecarbonitrile Benzonitrile,4-pentyl 4-Pentyl-benzonitril p-amylbenzonitrile p-n-pentylbenzonitrile |
| 密度 | 0.95g/cm3 |
|---|---|
| 沸点 | 278.9ºC at 760mmHg |
| 分子式 | C12H15N |
| 分子量 | 173.25400 |
| 闪点 | 122.7ºC |
| 精确质量 | 173.12000 |
| PSA | 23.79000 |
| LogP | 3.29098 |
| 蒸汽压 | 0.00414mmHg at 25°C |
| 折射率 | 1.51 |
| 储存条件 | 密封于阴凉干燥处。 |
| 稳定性 | 遵照规格使用和储存则不会分解。 |
| 分子结构 | 1、 摩尔折射率：54.46 2、 摩尔体积（cm3/mol）：182.1 3、 等张比容（90.2K）：451.5 4、 表面张力（dyne/cm）：37.8 5、 极化率（10-24cm3）：21.59 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:0 3.氢键受体数量:1 4.可旋转化学键数量:4 5.互变异构体数量:无 6.拓扑分子极性表面积23.8 7.重原子数量:13 8.表面电荷:0 9.复杂度:169 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：无可用 2. 密度（g/mL,25/4℃）： 无可用 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：无可用 5. 沸点（ºC,常压）：无可用 6. 沸点（ºC,5.2kPa）： 无可用 7. 折射率： 无可用 8. 闪点（ºC）： 无可用 9. 比旋光度（º）： 无可用 10. 自燃点或引燃温度（ºC）： 无可用 11. 蒸气压（kPa,25ºC）： 无可用 12. 饱和蒸气压（kPa,60ºC）： 无可用 13. 燃烧热（KJ/mol）：无可用 14. 临界温度（ºC）： 无可用 15. 临界压力（KPa）： 无可用 16. 油水（辛醇/水）分配系数的对数值： 无可用 17. 爆炸上限（%,V/V）：无可用 18. 爆炸下限（%,V/V）： 无可用 19. 溶解性：无可用 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause respiratory tract irritation. 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: 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: 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 10270-29-8: 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: Liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. 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: C12H15N Molecular Weight: 173 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen cyanide, carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 10270-29-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Pentylbenzonitrile - 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: NITRILES, LIQUID, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 3276 Packing Group: III IMO Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing Group: III RID/ADR Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 10270-29-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 10270-29-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 10270-29-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
|
毒理学数据: 毒性：对身体有害。 生态学数据: 该物质对环境有危害，对水体应给予特别注意
|
| 危害码 (欧洲) | Xn:Harmful; |
|---|---|
| 风险声明 (欧洲) | R20/21/22 |
| 安全声明 (欧洲) | S36/37 |
| 海关编码 | 2926909090 |
|
~%
10270-29-8 |
| 文献：Journal of the American Chemical Society, , vol. 125, # 35 p. 10570 - 10579 |
|
~48%
10270-29-8 |
| 文献：Tetrahedron, , vol. 65, # 1 p. 263 - 269 |
|
~37%
详细
|
| 文献：Tetrahedron, , vol. 65, # 1 p. 263 - 269 |
|
~%
10270-29-8 |
| 文献：Molecular Crystals and Liquid Crystals (1969-1991), , vol. 133, p. 235 - 244 |
|
~%
10270-29-8 |
| 文献：Molecular Crystals and Liquid Crystals (1969-1991), , vol. 133, p. 235 - 244 |
|
~%
10270-29-8 |
| 文献：Molecular Crystals and Liquid Crystals (1969-1991), , vol. 133, p. 235 - 244 |
| 上游产品 8 | |
|---|---|
| 下游产品 1 | |
| 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% |
