中文名 | (3-氯苯基)(4-甲氧基-3-硝基苯基)甲基环己醇 |
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英文名 | (3-chlorophenyl)-(4-methoxy-3-nitrophenyl)methanone |
英文别名 |
3-CHLORO-4'-METHOXY-3'-NITROBENZOPHENONE
3-chloro-3'-nitro-4'-methoxybenzophenone 3-chlorophenyl 4-methoxy-3-nitrophenyl ketone EINECS 423-290-4 |
密度 | 1.354g/cm3 |
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沸点 | 466.7ºC at 760mmHg |
熔点 | 109-114ºC |
分子式 | C14H10ClNO4 |
分子量 | 291.68700 |
闪点 | 236ºC |
精确质量 | 291.03000 |
PSA | 72.12000 |
LogP | 4.01100 |
折射率 | 1.604 |
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:74.16 2、 摩尔体积(m3/mol):215.3 3、 等张比容(90.2K):574.9 4、 表面张力(dyne/cm):50.8 5、 极化率(10-24cm3):29.40 |
计算化学 | 1.疏水参数计算参考值(XlogP):3.7 2.氢键供体数量:0 3.氢键受体数量:4 4.可旋转化学键数量:3 5.互变异构体数量:无 6.拓扑分子极性表面积72.1 7.重原子数量:20 8.表面电荷:0 9.复杂度:371 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):109-114 5. 沸点(ºC,常压):310 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:3-Chloro-4'-methoxy-3'-nitrobenzophenone Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 50/53 68 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.Possible risk of irreversible effects.The toxicological properties of this material have not been fully investigated.Dangerous for the environment. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. No skin absorption data found. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. 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. 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 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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution. Extinguishing Media: Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate 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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Do not breathe dust. 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# 66938-41-8: 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: Powder Color: light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 310 deg C Freezing/Melting Point: 109-114 deg C Autoignition Temperature: Not applicable. Flash Point: 270 deg C ( 518.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: 270 deg C Solubility in water: 13 g/100 ml aceton Specific Gravity/Density: Molecular Formula: C14H10ClNO4 Molecular Weight: 291.69 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Dust generation, excess heat, temperatures above 250C. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, oxides of nitrogen, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 66938-41-8 unlisted. LD50/LC50: Not available. Carcinogenicity: (3-Chlorophenyl)(4-methoxy-3-nitrophenyl)methanone - 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: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN N Risk Phrases: R 50/53 Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R 68 Possible risk of irreversible effects. Safety Phrases: S 22 Do not breathe dust. S 36/37 Wear suitable protective clothing and gloves. S 60 This material and its container must be disposed of as hazardous waste. S 61 Avoid release to the environment. Refer to special instructions/safety data sheets. WGK (Water Danger/Protection) CAS# 66938-41-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 66938-41-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 66938-41-8 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。
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危害码 (欧洲) | N-Xn,N,Xn |
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风险声明 (欧洲) | R68;R50/53 |
安全声明 (欧洲) | S22;S60;S61;S36/S37 |
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