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| 中文名 | 2',4',5'-三氟苯乙酮 |
|---|---|
| 英文名 | 2',4',5'-Trifluoroacetophenone |
| 中文别名 |
1-乙酰基-2,4,5-三氟苯
2’,4’,5’-三氟苯乙酮 |
| 英文别名 |
Ethanone, 1-(2,4,5-trifluorophenyl)-
MFCD00061193 1-(2,4,5-Trifluorophenyl)-1-ethanone 1-Acetyl-2,4,5-trifluorobenzene 1-(2,4,5-Trifluorophenyl)ethanone 2',4',5'-Trifluoroacetophenone FR BF DF EV1 |
| 密度 | 1.3±0.1 g/cm3 |
|---|---|
| 沸点 | 199.8±35.0 °C at 760 mmHg |
| 熔点 | -7 |
| 分子式 | C8H5F3O |
| 分子量 | 174.120 |
| 闪点 | 71.1±0.0 °C |
| 精确质量 | 174.029251 |
| PSA | 17.07000 |
| LogP | 1.47 |
| 外观性状 | 透明黄色液体 |
| 蒸汽压 | 0.3±0.4 mmHg at 25°C |
| 折射率 | 1.455 |
| 储存条件 | 保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置 |
| 稳定性 | 如果遵照规格使用和储存则不会分解，未有已知危险反应 避免氧化物 |
| 分子结构 | 1、摩尔折射率：36.26 2、摩尔体积（cm3/mol）：133.5 3、等张比容（90.2K）：313.8 4、表面张力（dyne/cm）：30.4 5、介电常数：无可用的 6、极化率（10-24cm3）：14.37 7、单一同位素质量：174.029249 Da 8、标称质量：174 Da 9、平均质量：174.1199 Da |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:1.9 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:1 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:12 8.表面电荷:0 9.复杂度:183 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：无色液体 2. 密度（g/mL,20℃）：1.331 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：-7 5. 沸点（ºC,常压）：76 6. 沸点（ºC,KPa）：未确定 7. 折射率：n20/D 1.472 8. 闪点（ºC）：71.1 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）：未确定 11. 蒸气压（Pa,20ºC）：未确定 12. 饱和蒸气压（KPa,20ºC）：未确定 13. 燃烧热（KJ/mol）：未确定 14. 临界温度（ºC）：未确定 15. 临界压力（KPa）：未确定 16. 油水（辛醇/水）分配系数的对数值：未确定 17. 爆炸上限（%,V/V）：未确定 18. 爆炸下限（%,V/V）：未确定 19. 溶解性：未确定 |
Synonym:1-(2,4,5-Trifluorphenyl)-ethanon Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: 22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Harmful if swallowed.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. Inhalation: May cause respiratory tract irritation. 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. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. 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# 129322-83-4: 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 minimize contact with skin. 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 yellow Odor: Aromatic odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 76 - 79 deg C @ 760.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: > 100 deg C (> 212.00 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: 0.5 G/L WATER(20C) Specific Gravity/Density: 1.3800g/cm3 Molecular Formula: C8H5F3O Molecular Weight: 174.12 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stability unknown. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong bases. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 129322-83-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,4,5-Trifluoroacetophenone - 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: XN Risk Phrases: R 22 Harmful if swallowed. Safety Phrases: WGK (Water Danger/Protection) CAS# 129322-83-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 129322-83-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 129322-83-4 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: 通常对水是稍微有危害的，若无政府许可，勿将材料排入周围环境。
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| 符号 |
GHS07 |
|---|---|
| 信号词 | Warning |
| 危害声明 | H315-H319-H335 |
| 警示性声明 | P261-P305 + P351 + P338 |
| 个人防护装备 | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| 危害码 (欧洲) | Xi:Irritant; |
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36/37/39 |
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 3 |
| 海关编码 | 2914700090 |
|
~88%
129322-83-4 |
| 文献：Braish, Tamim F.; Fox, Darrell E. Organic Preparations and Procedures International, 1991 , vol. 23, # 5 p. 655 - 658 |
| 上游产品 2 | |
|---|---|
| 下游产品 5 | |
| 海关编码 | 2914700090 |
|---|---|
| 中文概述 | 2914700090 其他酮及醌的卤化、磺化衍生物（包括硝化和亚硝化衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0% |
| 申报要素 | 品名, 成分含量, 用途, 丙酮报明包装 |
| Summary | HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0% |
