175277-96-0

• 常用中文名：4-氰基－2－(三氟甲基)N-乙酰苯胺
• 常用英文名：N-[4-Cyano-2-(trifluoromethyl)phenyl]acetamide
• CAS号：175277-96-0
• 分子式：C₁₀H₇F₃N₂O
• 分子量：228.171
• 发布时间：2018-12-20 18:51:49
• 更新时间：2024-01-02 20:14:36
• 下载msds

名称

• 中文名: 4-氰基－2－(三氟甲基)N-乙酰苯胺
• 英文名: 4-Cyano-2-(trifluoromethyl)acetanilide
• 中文别名: 4-氰基-2-三氟甲基苯基乙酰胺; 4-氰基-2-(三氟甲基)N-乙酰苯胺
• 英文别名: N-[4-Cyano-2-(trifluoromethyl)phenyl]acetamide; Acetamide, N-[4-cyano-2-(trifluoromethyl)phenyl]-; N1-[4-cyano-2-(trifluoromethyl)phenyl]acetamide

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 369.6±42.0 °C at 760 mmHg
• 熔点: 169ºC
• 分子式: C₁₀H₇F₃N₂O
• 分子量: 228.171
• 闪点: 177.3±27.9 °C
• 精确质量: 228.051041
• PSA: 52.89000
• LogP: 1.58
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.494
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  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:1

  5.互变异构体数量:3

  6.拓扑分子极性表面积52.9

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:318

  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：未确定

  2. 密度（g/mL, 20 ℃ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：169

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC15 mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（ºC15 mmHg ）：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: N1-[4-Cyano-2-(trifluoromethyl)phenyl]acetamide 97% Material Safety Data Sheet Synonym: 2-Acetamido-5-cyanobenzotrifluorid CAS: 175277-96-0 Section 1 - Chemical Product MSDS Name:N1-[4-Cyano-2-(trifluoromethyl)phenyl]acetamide 97% Material Safety Data Sheet Synonym:2-Acetamido-5-cyanobenzotrifluorid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 175277-96-0 N1-[4-Cyano-2-(trifluoromethyl)phenyl] 97% unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. May cause 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: 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 175277-96-0: 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: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 169 - 171 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: C10H7F3N2O Molecular Weight: 228 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, reducing agents, acids, bases. Hazardous Decomposition Products: Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, fluorine, hydrogen fluoride gas. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 175277-96-0 unlisted. LD50/LC50: Not available. Carcinogenicity: N1-[4-Cyano-2-(trifluoromethyl)phenyl]acetamide - 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 Shipping Name: NITRILES, SOLID, TOXIC, N.O.S.* Hazard Class: 6.1 UN Number: 3276 Packing Group: III IMO Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing Group: III RID/ADR Shipping Name: NITRILES, TOXIC, N.O.S. Hazard Class: 6.1 UN Number: 3276 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. Safety Phrases: S 36/37 Wear suitable protective clothing and gloves. WGK (Water Danger/Protection) CAS# 175277-96-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 175277-96-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 175277-96-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): 26-36

合成路线

544-92-3 97760-98-0 ~73% 175277-96-0

文献：Kruger; Keck; Noll; Pieper Arzneimittel-Forschung/Drug Research, 1984 , vol. 34, # 11 A p. 1612 - 1624

88-17-5 ~% 175277-96-0

文献：Arzneimittel-Forschung/Drug Research, , vol. 34, # 11 A p. 1612 - 1624

97760-97-9 ~% 175277-96-0

文献：Arzneimittel-Forschung/Drug Research, , vol. 34, # 11 A p. 1612 - 1624

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