中文名 | 3-氰基-6,7-二甲基色酮 |
---|---|
英文名 | 6,7-dimethyl-4-oxochromene-3-carbonitrile |
英文别名 |
6,7-dimethyl-4-oxo-4h-chromene-3-carbonitrile
3-cyano-6,7-dimethylchromone MFCD00191957 6,7-Dimethyl-4-oxo-4H-1-benzopyran-3-carbonitrile 6,7-dimethyl-3-cyanochromone |
密度 | 1.25g/cm3 |
---|---|
沸点 | 347.8ºC at 760mmHg |
熔点 | 206-209ºC(lit.) |
分子式 | C12H9NO2 |
分子量 | 199.20500 |
闪点 | 151.8ºC |
精确质量 | 199.06300 |
PSA | 54.00000 |
LogP | 2.28148 |
折射率 | 1.594 |
储存条件 | 密闭于阴凉干燥环境中 |
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:53.95 2、 摩尔体积(m3/mol):158.9 3、 等张比容(90.2K):427.8 4、 表面张力(dyne/cm):52.5 5、 极化率(10 -24cm 3):21.38 |
计算化学 | 1.疏水参数计算参考值(XlogP):2.2 2.氢键供体数量:0 3.氢键受体数量:3 4.可旋转化学键数量:0 5.互变异构体数量:5 6.拓扑分子极性表面积50.1 7.重原子数量:15 8.表面电荷:0 9.复杂度:363 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):206-209 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:6,7-Dimethyl-4-oxo-4H-1-benzopyran-3-carbonitril Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes 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: Vacuum or sweep up material and place into a suitable disposal container. Avoid generating dusty conditions. 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# 94978-86-6: 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: Powder Color: orange-brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 208-210 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: Specific Gravity/Density: Molecular Formula: C12H9NO2 Molecular Weight: 199.21 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 94978-86-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Cyano-6,7-dimethylchromone - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Other No information available. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: NITRILES, SOLID, 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. 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 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 94978-86-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 94978-86-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 94978-86-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
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。
|
危害码 (欧洲) | Xi: Irritant; |
---|---|
风险声明 (欧洲) | R36/37/38 |
安全声明 (欧洲) | 26-36 |
WGK德国 | 3 |
海关编码 | 2926909090 |
~66% 94978-86-6 |
文献:Jagath Reddy; Latha; Thirupathaiah; Srinivasa Rao Organic Preparations and Procedures International, 2004 , vol. 36, # 3 p. 287 - 289 |
上游产品 1 | |
---|---|
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% |