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| 中文名 | 1-苯基环丁腈 |
|---|---|
| 英文名 | 1-Phenylcyclobutanecarbonitrile |
| 中文别名 | 1-苯基环丁烷甲腈 |
| 英文别名 |
MFCD00019258
1-phenylcyclobutane-1-carbonitrile |
| 密度 | 1.03 |
|---|---|
| 沸点 | 290.9ºC at 760mmHg |
| 分子式 | C11H11N |
| 分子量 | 157.21200 |
| 闪点 | 106.3ºC |
| 精确质量 | 157.08900 |
| PSA | 23.79000 |
| LogP | 2.63188 |
| 外观性状 | 透明淡黄色液体 |
| 蒸汽压 | 0.00201mmHg at 25°C |
| 折射率 | 1.5313-1.5333 |
| 储存条件 | 室温，干燥 |
| 分子结构 | 1、摩尔折射率：47.81 2、摩尔体积（cm3/mol）：147.7 3、等张比容（90.2K）：380.1 4、表面张力（dyne/cm）：43.8 5、介电常数：无可用的 6、极化率（10-24cm3）：18.95 7、单一同位素质量：157.089149 Da 8、标称质量：157 Da 9、平均质量：157.2117 Da |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:2.5 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:1 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:12 8.表面电荷:0 9.复杂度:200 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 |
Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation and in contact with skin. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration. Ingestion: May cause irritation of the digestive tract. May cause cardiac disturbances. May cause central nervous system depression. Metabolism may release cyanide, which may result in headache, dizziness, weakness, collapse, unconsciousness and possible death. Inhalation: May cause respiratory tract irritation. May cause cardiac abnormalities. May be metabolized to cyanide which in turns act by inhibiting cytochrome oxidase impairing cellular respiration. Inhalation at high concentrations may cause CNS depression and asphixiation. Chronic: May be metabolized to cyanide which in turn acts by inhibiting cytochrome oxidase impairing cellular respiration. Chronic exposure to cyanide solutions may lead to the development of a "cyanide" rash, characterized by itching, and by macular, papular, and vesicular eruptions, and may be accompanied by secondary infections. Section 4 - FIRST AID MEASURES Eyes: Immediately 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 breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask. Notes to Physician: May be partially metabolized to cyanide in the body. 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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Combustible material; may burn but does not ignite readily. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use water spray to cool fire-exposed containers. Do NOT get water inside containers. For small fires, use dry chemical, carbon dioxide, or water spray. For large fires, use dry chemical, carbon dioxide, alcohol-resistant foam, or water spray. 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. Avoid runoff into storm sewers and ditches which lead to waterways. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. 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 adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 14377-68-5: 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: Liquid Color: clear very slight yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 92.0 - 95.0 deg C @ 1.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.0310g/cm3 Molecular Formula: C11H11N Molecular Weight: 157.21 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, excess heat, strong oxidants. Incompatibilities with Other Materials: Strong acids, strong bases, strong oxidizing agents, strong reducing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 14377-68-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Phenylcyclobutanecarbonitrile - 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: TOXIC LIQUID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 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 Harmful by inhalation and in contact with skin. Safety Phrases: S 23 Do not inhale gas/fumes/vapour/spray. WGK (Water Danger/Protection) CAS# 14377-68-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 14377-68-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 14377-68-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 危害码 (欧洲) | Xn: Harmful; |
|---|---|
| 风险声明 (欧洲) | R20/21/22;R36/37/38 |
| 安全声明 (欧洲) | 36/37/39-26 |
| 危险品运输编码 | 3276.0 |
| 海关编码 | 2926909090 |
|
~63%
14377-68-5 |
| 文献：Barbasiewicz, Michal; Marciniak, Karolina; Fedorynski, Michal Tetrahedron Letters, 2006 , vol. 47, # 23 p. 3871 - 3874 |
|
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14377-68-5 |
| 文献：Journal of the American Chemical Society, , vol. 69, p. 2902,2904 |
|
~%
14377-68-5 |
| 文献：Journal of the American Chemical Society, , vol. 93, # 17 p. 4237 - 4242 |
| 上游产品 3 | |
|---|---|
| 下游产品 9 | |
| 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% |
