80997-84-8
80997-84-8结构式
- 常用中文名：2-正辛腈
- 常用英文名：2-OXOOCTANENITRILE
- CAS号：80997-84-8
- 分子式：C8H13NO
- 分子量：139.19500
- 发布时间：2018-02-20 08:00:00
- 更新时间：2024-01-08 10:42:38
| 中文名 | 2-正辛腈 |
|---|---|
| 英文名 | heptanoyl cyanide |
| 英文别名 |
Octanenitrile,2-oxo
MFCD00001840 EINECS 279-644-1 2-Oxooctanenitrile |
| 密度 | 0.88 |
|---|---|
| 沸点 | 41ºC (1.5 mmHg) |
| 分子式 | C8H13NO |
| 分子量 | 139.19500 |
| 闪点 | 79ºC |
| 精确质量 | 139.10000 |
| PSA | 40.86000 |
| LogP | 2.04948 |
| 折射率 | 1.443-1.445 |
| 储存条件 | 密闭于0-6 ºC阴凉干燥环境中 |
| 稳定性 | 遵照规定使用和储存则不会分解。 |
| 分子结构 | 1、 摩尔折射率：39.05 2、 摩尔体积（m3/mol）：151.0 3、 等张比容（90.2K）：363.7 4、 表面张力（dyne/cm）：33.6 5、 极化率（10 -24cm 3）：15.48 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:2.3 2.氢键供体数量:0 3.氢键受体数量:2 4.可旋转化学键数量:5 5.互变异构体数量:2 6.拓扑分子极性表面积40.9 7.重原子数量:10 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：无可用 2. 密度（g/mL,25/4℃）： 0.88 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）：41 /1.5 mmHg 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：1.443-1.445 8. 闪点（ºC）：79 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.Harmful.Combustible liquid.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. The toxicological properties of this substance have not been fully investigated. 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: Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists. 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 if cough or other symptoms appear. 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. Use only in a chemical fume hood. Storage: Keep away from sources of ignition. Store in a tightly closed container. Store in a dry area. Keep refrigerated. (Store below 4C/39F.) 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. Exposure Limits CAS# 80997-84-8: Personal Protective Equipment Eyes: Wear chemical splash goggles. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear a chemical apron. 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 brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 41 deg C @ 1.50mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 79 deg C ( 174.20 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: .8880g/cm3 Molecular Formula: C8H13NO Molecular Weight: 139.20 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases, strong acids, strong reducing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of nitrogen, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 80997-84-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Oxooctanenitrile, tech. - 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# 80997-84-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 80997-84-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 80997-84-8 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: 该物质对环境可能有危害，对水体应给予特别注意。
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| 危害码 (欧洲) | Xn: Harmful; |
|---|---|
| 风险声明 (欧洲) | R20/21/22 |
| 安全声明 (欧洲) | S36/37 |