1701-19-5

• 常用中文名：8-甲基-2-(三氟甲基)喹啉-4-醇
• 常用英文名：8-methyl-2-(trifluoromethyl)quinolin-4-ol
• CAS号：1701-19-5
• 分子式：C₁₁H₈F₃NO
• 分子量：227.182
• 发布时间：2018-12-15 20:22:27
• 更新时间：2024-01-08 10:16:58
• 下载msds

名称

• 中文名: 4-羟基-8-甲基-2-(三氟甲基)喹啉
• 英文名: 8-methyl-2-(trifluoromethyl)-1H-quinolin-4-one
• 英文别名: 4-Hydroxy-8-methyl-2-trifluormethylchinolin; 8-methyl-2-(trifluoromethyl)quinolin-4-ol; MFCD00276592; 2-trifluoromethyl-4-hydroxy-8-methylquinoline; 8-Methyl-2-(trifluoromethyl)-4(1H)-quinolinone; 4(1H)-Quinolinone, 8-methyl-2-(trifluoromethyl)-; 4-Hydroxy-8-methyl-2-(trifluoromethyl)quinoline

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 245.6±40.0 °C at 760 mmHg
• 熔点: 125-131°C
• 分子式: C₁₁H₈F₃NO
• 分子量: 227.182
• 闪点: 102.4±27.3 °C
• 精确质量: 227.055801
• PSA: 33.12000
• LogP: 4.73
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.515
• 储存条件:

  保持容器密封，储存在阴凉，干燥的地方

• 稳定性:

  常温常压下稳定，避免强氧化剂接触

• 分子结构:

  1、 摩尔折射率：53.87

  2、 摩尔体积（m³/mol）：164.9

  3、 等张比容（90.2K）：415.1

  4、 表面张力（dyne/cm）：40.0

  5、 介电常数（F/m）：无可用

  6、 极化率（10 ^-24cm ³）：21.35

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.8

  2.氢键供体数量:1

  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:3

  6.拓扑分子极性表面积29.1

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:335

  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：粉末。

  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）：125-131

  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: 8-Methyl-2-(trifluoromethyl)quinolin-4-ol 97% Material Safety Data Sheet Synonym: CAS: 1701-19-5 Section 1 - Chemical Product MSDS Name:8-Methyl-2-(trifluoromethyl)quinolin-4-ol 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1701-19-5 8-Methyl-2-(trifluoromethyl)quinolin-4 97% 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# 1701-19-5: 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: green Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 125 - 131 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: C11H8F3NO Molecular Weight: 227 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Reducing agents, strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1701-19-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 8-Methyl-2-(trifluoromethyl)quinolin-4-ol - 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 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# 1701-19-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1701-19-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1701-19-5 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

毒理学数据: 对眼睛、皮肤、粘膜有刺激作用 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): R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2933499090

合成路线

372-31-6 95-53-4 ~% 1701-19-5

文献：EP1308439 A1, ;

海关

海关编码	2933499090
中文概述	2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 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:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%