中文名 | 2,3-二溴代-1,3-二苯基-1-丙酮 |
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英文名 | 2,3-Dibromo-3-phenylpropiophenone |
中文别名 |
2,3-二溴-3-苯基苯丙酮
二溴化苯乙烯基苯基酮 |
英文别名 |
MFCD00017861
EINECS 210-282-9 2,3-dibromo-1,3-diphenylpropan-1-one |
描述 | 二溴查尔酮是合成吡唑啉、羟基吡唑啉和异恶唑等大量生物活性分子的有用合成子。二溴查尔酮通过抑制超氧化物的产生和脂质过氧化对肿瘤细胞具有抗氧化作用。二溴化查尔酮可用于癌症疾病研究[1]。 |
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相关类别 | |
参考文献 |
密度 | 1.631g/cm3 |
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沸点 | 411.5ºC at 760 mmHg |
熔点 | 156ºC |
分子式 | C15H12Br2O |
分子量 | 368.06 |
闪点 | 104.7ºC |
精确质量 | 365.92500 |
PSA | 17.07000 |
LogP | 4.76900 |
折射率 | 1.635 |
储存条件 | 室温 |
计算化学 | 1.疏水参数计算参考值(XlogP):4.7 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:2 6.拓扑分子极性表面积:17.1 7.重原子数量:18 8.表面电荷:0 9.复杂度:268 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:2 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:Benzalacetophenone dibromid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. 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: Treat symptomatically and supportively. 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. 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# 611-91-6: 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: Solid Color: white Odor: odorless pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 156 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: Negligible. Specific Gravity/Density: Molecular Formula: C15H12Br2O Molecular Weight: 368.07 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable. Conditions to Avoid: Incompatible materials, direct sunlight.. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 611-91-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,3-Dibromo-3-phenylpropiophenone - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: 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 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 611-91-6: No information available. Canada CAS# 611-91-6 is listed on Canada's NDSL List. CAS# 611-91-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 611-91-6 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A |
危害码 (欧洲) | C |
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风险声明 (欧洲) | R34 |
安全声明 (欧洲) | 45-36/37/39-26 |