722-92-9

• 常用中文名：4-(六氟-2-羟基异丙基)苯胺
• 常用英文名：2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
• CAS号：722-92-9
• 分子式：C₉H₇F₆NO
• 分子量：259.148
• 发布时间：2018-12-29 18:48:19
• 更新时间：2024-01-21 12:12:42

名称

• 中文名: 2-(4-氨基苯)-1,1,1,3,3,3-六氟-2-丙醇
• 英文名: 4-(hexafluoro-2-hydroxyisopropyl)aniline
• 中文别名: 4-(六氟-2-羟基异丙基)苯胺; 2-(4-氨基苯基)-1,1,1,3,3,3-六氟-2-丙醇
• 英文别名: Benzenemethanol, 4-amino-α,α-bis(trifluoromethyl)-; 4-(1-Hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)aniline; 2-(4-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol; MFCD00039258; 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 292.9±40.0 °C at 760 mmHg
• 熔点: 155-157ºC
• 分子式: C₉H₇F₆NO
• 分子量: 259.148
• 闪点: 130.9±27.3 °C
• 精确质量: 259.043182
• PSA: 46.25000
• LogP: 2.50
• 外观性状: 淡棕色结晶粉末
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.455
• 储存条件:

  保持容器密封，放入紧密的出藏器内，储存在阴凉，干燥的地方

• 稳定性:

  常温常压下稳定，避免氧化物接触

• 分子结构:

  1、 摩尔折射率：46.69

  2、 摩尔体积（m³/mol）：172.1

  3、 等张比容（90.2K）：405.3

  4、 表面张力（dyne/cm）：30.7

  5、 介电常数：

  6、 偶极距（10 ^-24cm ³）：

  7、 极化率：18.51

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:8

  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46.2

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:252

  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：晶体

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：147-152

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  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（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：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

MSDS

Name: 2-(4-Aminophenyl)-1 1 1 3 3 3-hexafluoro-2 -propanol Material Safety Data Sheet Synonym: 4-(Hexafluoro-2-hydroxyisopropyl)anilin CAS: 722-92-9 Section 1 - Chemical Product MSDS Name:2-(4-Aminophenyl)-1 1 1 3 3 3-hexafluoro-2 -propanol Material Safety Data Sheet Synonym:4-(Hexafluoro-2-hydroxyisopropyl)anilin Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 722-92-9 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluo 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. 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. 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. 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 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: 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# 722-92-9: 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: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 155 - 156 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: C9H7F6NO Molecular Weight: 259.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 722-92-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoro-2 -propanol - 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# 722-92-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 722-92-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 722-92-9 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: 对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R20/22;R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: 2811.0
• 海关编码: 2922199090

合成路线

74497-02-2 684-16-2 ~81% 722-92-9

文献：Li, Leping; Liu, Jiwen; Zhu, Liusheng; Cutler, Serena; Hasegawa, Hirohiko; Shan, Bei; Medina, Julio C. Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 6 p. 1638 - 1642

上下游产品

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海关

海关编码	2922199090
中文概述	2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 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:30.0%
申报要素	品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
Summary	2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%