32137-19-2

• 常用中文名：3,4-二氟三氟甲苯
• 常用英文名：1,2-Difluor-4-(trifluormethyl)benzol
• CAS号：32137-19-2
• 分子式：C₇H₃F₅
• 分子量：182.091
• 相关类别： 有机原料 有机氟化合物 氟甲苯系列
• 发布时间：2018-07-10 07:44:43
• 更新时间：2024-01-03 00:01:37

名称

• 中文名: 3,4-二氟三氟甲苯
• 英文名: 1,2-difluoro-4-(trifluoromethyl)benzene
• 中文别名: α,α,α,3,4-五氟甲苯; 3,4-二氟三氟甲基苯
• 英文别名: 1,2-Difluoro-4-(trifluoromethyl)benzene; MFCD00077510; 1,2-Difluor-4-(trifluormethyl)benzol; α,α,α,3,4-Pentafluorotoluene; 1,2-Difluor-4-trifluormethylbenzol; Benzene, 1,2-difluoro-4-(trifluoromethyl)-; 3,4-Difluoro-trifluoromethylbenzene; 3,4-difluoro-benzotrifluoride; 1,2-difluoro-4-trifluoromethylbenzene; Benzene,1,2-difluoro-4-(trifluoromethyl); Alpha,Alpha,Alpha,3,4-Pentafluorotoluene

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 104.2±35.0 °C at 760 mmHg
• 分子式: C₇H₃F₅
• 分子量: 182.091
• 闪点: 24.7±12.8 °C
• 精确质量: 182.015488
• LogP: 2.76
• 外观性状: 液体;Colorless to Light yellow to Light orange clear liquid
• 蒸汽压: 36.2±0.2 mmHg at 25°C
• 折射率: 1.391
• 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

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3

  2.氢键供体数量:0

  3.氢键受体数量:5

  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:12

  8.表面电荷:0

  9.复杂度:152

  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：无色至亮黄色的液体

  2. 密度（g/mL,20℃）：1.41

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：103-104

  6. 沸点（ºC,KPa）：未确定

  7. 折射率：n20/D 1.388-1.392

  8. 闪点（ºC）：103-104

  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：不溶于水

MSDS

Name: 3 4-Difluorobenzotrifluoride Material Safety Data Sheet Synonym: CAS: 32137-19-2 Section 1 - Chemical Product MSDS Name:3 4-Difluorobenzotrifluoride Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 32137-19-2 3,4-Difluorobenzotrifluoride unlisted Hazard Symbols: XI F Risk Phrases: 11 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Highly flammable. 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. 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 carbon dioxide or dry chemical. 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. Remove all sources of ignition. Use a spark-proof tool. Section 7 - HANDLING and STORAGE Handling: Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Storage: Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container. Flammables-area. 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# 32137-19-2: 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: clear to light yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. 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: C7H3F5 Molecular Weight: 182.013 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, ignition sources. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 32137-19-2 unlisted. LD50/LC50: Not available. Carcinogenicity: 3,4-Difluorobenzotrifluoride - 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: XI F Risk Phrases: R 11 Highly flammable. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 16 Keep away from sources of ignition - No smoking. 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# 32137-19-2: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 32137-19-2 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 32137-19-2 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

• 危害码 (欧洲): F:Flammable;Xi:Irritant;
• 风险声明 (欧洲): R11;R36/37/38
• 安全声明 (欧洲): S37/39-S26-S16
• 危险品运输编码: 1993
• 包装等级: III
• 危险类别: 3
• 海关编码: 2903999090

合成路线

112290-03-6 ~% 32137-19-2

文献：US5283378 A1, ;

121-17-5 ~63% 32137-19-2

文献：Journal of Organic Chemistry, , vol. 56, # 22 p. 6406 - 6411

77227-99-7 ~% 32137-19-2

文献：US5283378 A1, ;

328-84-7 ~48% 32137-19-2 32137-20-5 78068-85-6

文献：Journal of Fluorine Chemistry, , vol. 50, # 3 p. 365 - 370

上下游产品

上游产品  4
112290-03-6 121-17-5 77227-99-7 328-84-7
下游产品  9
455-86-7 32137-20-5 328-84-7 85118-04-3
69409-98-9 64248-62-0 76903-88-3 239087-11-7
847547-01-7

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%