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| 中文名 | 4-(三氟甲基)苯甲酸乙酯 |
|---|---|
| 英文名 | Ethyl 4-(trifluoromethyl)benzoate |
| 英文别名 |
ethyl 4-(trifluoromethyl)benzoate
EINECS 209-486-0 MFCD00013563 |
| 密度 | 1.23 g/cm3 |
|---|---|
| 沸点 | 90 °C |
| 分子式 | C10H9F3O2 |
| 分子量 | 218.17200 |
| 闪点 | 78-80°C/5mm |
| 精确质量 | 218.05500 |
| PSA | 26.30000 |
| LogP | 2.88210 |
| 外观性状 | 无色-几乎无色透明液体 |
| 折射率 | 1.447 |
| 储存条件 | 贮存： 将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。 |
| 稳定性 | 稳定性和反应性： 要避免的物料：氧化物。 要分解的产品：一氧化碳和二氧化碳，氟化氢。 |
| 分子结构 | 分子性质数据： 1、 摩尔折射率：47.63 2、 摩尔体积（m3/mol）：177.3 3、 等张比容（90.2K）：409.1 4、 表面张力（dyne/cm）：28.3 5、 极化率（10-24cm3）：18.88 |
| 计算化学 | 四、计算化学数据： 1、 疏水参数计算参考值（XlogP）：-5.6 2、 氢键供体数量：8 3、 氢键受体数量：12 4、 可旋转化学键数量：8 5、 拓扑分子极性表面积（TPSA）：245 6、 重原子数量：35 7、 表面电荷：0 8、 复杂度：871 9、 同位素原子数量：0 10、 确定原子立构中心数量：8 11、 不确定原子立构中心数量：0 12、 确定化学键立构中心数量：0 13、 不确定化学键立构中心数量：0 14、 共价键单元数量：1 |
| 更多 | 一、物性数据 1. 密度：1.447g/mLat 25°C(lit. 2. 沸点（ºC）： 90 |
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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 583-02-8: 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: Liquid Color: colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 78 - 80 deg C @5mmHg Freezing/Melting Point: Not available. 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: C10H9F3O2 Molecular Weight: 218 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acids, bases. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 583-02-8 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 4-(trifluoromethyl)benzoate - 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# 583-02-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 583-02-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 583-02-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 上游产品 10 | |
|---|---|
| 下游产品 10 | |
| 海关编码 | 2916399090 |
|---|---|
| 中文概述 | 2916399090 其他芳香一元羧酸. 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, 丙烯酸、丙烯酸盐或酯应报明包装 |
| Summary | 2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
![3,5-Dimethyl-1-[4-(trifluoromethyl)benzoyl]-1H-pyrazole结构式](https://www.chemsrc.com/caspic/007/17605-88-8.png)