77227-81-7

• 常用中文名：3,5-二氯-4-氟三氟甲苯
• 常用英文名：3,5-Dichloro-4-fluorobenzotrifluoride
• CAS号：77227-81-7
• 分子式：C₇H₂Cl₂F₄
• 分子量：232.990
• 相关类别： 有机原料 有机氟化合物 氟甲苯系列
• 发布时间：2018-04-29 08:00:00
• 更新时间：2024-01-01 18:12:57
• 下载msds

名称

• 中文名: 3,5-二氯-4-氟三氟甲苯
• 英文名: 3,5-Dichloro-4-Fluorobenzotrifluoride
• 中文别名: 3.5-二氯-4-氟三氟甲苯
• 英文别名: 1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene; Benzene, 1,3-dichloro-2-fluoro-5-(trifluoromethyl)-; MFCD00068183; 3,5-Dichloro-4-fluorobenzotrifluoride

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 166.0±35.0 °C at 760 mmHg
• 分子式: C₇H₂Cl₂F₄
• 分子量: 232.990
• 闪点: 63.5±19.4 °C
• 精确质量: 231.946960
• LogP: 4.76
• 外观性状: 无色液体
• 蒸汽压: 2.4±0.3 mmHg at 25°C
• 折射率: 1.455
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。远离热，明火。

• 稳定性:

  远离强氧化剂，强还原剂，热，明火和火花。

• 分子结构:

  1、 摩尔折射率：41.01

  2、 摩尔体积（m³/mol）：151.0

  3、 等张比容（90.2K）：343.3

  4、 表面张力（dyne/cm）：26.6

  5、 极化率（10 ^-24cm ³）：16.26

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.2

  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:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:170

  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：黄色液体

  2. 密度（g/mL,25/4℃）：1.55

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：166-168

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.461-1.463

  8. 闪点（ºC）：73

  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

MSDS

Name: 3 5-Dichloro-4-fluorobenzotrifluoride 98% Material Safety Data Sheet Synonym: 1,3-Dichloro-2-fluoro-5-(trifluoromethyl)-benzene; 3,5-Dichloro-4-fluoro-alpha,alpha,alpha-trifluorotoluen CAS: 77227-81-7 Section 1 - Chemical Product MSDS Name:3 5-Dichloro-4-fluorobenzotrifluoride 98% Material Safety Data Sheet Synonym:1,3-Dichloro-2-fluoro-5-(trifluoromethyl)-benzene; 3,5-Dichloro-4-fluoro-alpha,alpha,alpha-trifluorotoluen Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 77227-81-7 3,5-Dichloro-4-fluorobenzotrifluoride 98.0 unlisted Hazard Symbols: XI 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. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Inhalation: Causes respiratory tract irritation. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately 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: Treat symptomatically and supportively. Antidote: None reported. 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. Use water spray to keep fire-exposed containers cool. Combustible liquid. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated. Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. 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# 77227-81-7: 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. 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: 166 - 168 deg C Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: 73 deg C ( 163.40 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: 1.5550g/cm3 Molecular Formula: C7H2Cl2F4 Molecular Weight: 232.99 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, ignition sources, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 77227-81-7 unlisted. LD50/LC50: Not available. Carcinogenicity: 3,5-Dichloro-4-fluorobenzotrifluoride - 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# 77227-81-7: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 77227-81-7 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 77227-81-7 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

安全

• 符号: GHS05, GHS06
• 信号词: Danger
• 危害声明: H301-H318
• 警示性声明: P280-P301 + P310-P305 + P351 + P338
• 个人防护装备: Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R22;R41
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: UN 2810 6.1/PG 3
• WGK德国: 3
• 海关编码: 2903999090

合成路线

50594-82-6 ~% 104554-79-2 77227-81-7

文献：WO2008/113660 A1, ; Page/Page column 11 ;

13755-29-8 24279-39-8 ~% 77227-81-7

文献：US4388472 A1, ;

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海关

海关编码	2903999090
中文概述	2903999090 其他芳烃卤化衍生物. 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
Summary	2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%