中文名 | 5-(4-溴苯基)异噁唑 |
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英文名 | 5-(4-bromophenyl)-1,2-oxazole |
中文别名 | 5-(4-溴苯基)异恶唑 |
英文别名 |
5-(4-Bromophenyl)isoxazole
MFCD02183532 5-(p-Bromphenyl)-isoxazol |
密度 | 1.524g/cm3 |
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沸点 | 333ºC at 760mmHg |
熔点 | 116ºC |
分子式 | C9H6BrNO |
分子量 | 224.05400 |
精确质量 | 222.96300 |
PSA | 26.03000 |
LogP | 3.10410 |
外观性状 | 固体 |
折射率 | 1.708 |
储存条件 | 室温 |
分子结构 | 1、 摩尔折射率:48.92 2、 摩尔体积(m3/mol):146.9 3、 等张比容(90.2K):379.2 4、 表面张力(dyne/cm):44.4 5、 极化率(10-24cm3):19.39 |
计算化学 | 1.疏水参数计算参考值(XlogP):2.7 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:1 5.互变异构体数量:无 6.拓扑分子极性表面积26 7.重原子数量:12 8.表面电荷:0 9.复杂度:146 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 | 一、物性数据 性状:不可用 密度(g/mL,25/4℃):不可用 相对蒸汽密度(g/mL,空气=1):不可用 熔点(ºC):114 沸点(ºC,常压):不可用 沸点(ºC,5.2kPa):不可用 折射率:不可用 闪点(ºC):不可用 比旋光度(º):不可用 自燃点或引燃温度(ºC):不可用 蒸气压(kPa,25ºC):不可用 饱和蒸气压(kPa,60ºC):不可用 燃烧热(KJ/mol):不可用 临界温度(ºC):不可用 临界压力(KPa):不可用 油水(辛醇/水)分配系数的对数值:不可用 爆炸上限(%,V/V):不可用 爆炸下限(%,V/V):不可用 溶解性:不可用 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause 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. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 7064-31-5: 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: beige Odor: perceptible odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 116 - 117 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: C9H6BrNO Molecular Weight: 224 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, bases. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide, bromine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 7064-31-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-(4-Bromophenyl)isoxazole - 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 No information available. IMO No information available. RID/ADR No information available. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 7064-31-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 7064-31-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 7064-31-5 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
毒理学数据: 二、毒理学数据: 急性毒性:不可用。 生态学数据: 三、生态学数据: 1、其它有害作用: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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上游产品 3 | |
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下游产品 0 |
海关编码 | 2934999090 |
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中文概述 | 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% |
申报要素 | 品名, 成分含量, 用途 |
Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |