175277-90-4

• 常用中文名：4-异丙基氨-3-硝基三氟甲苯
• 常用英文名：4-isopropylamino-3-nitrobenzotrifluoride
• CAS号：175277-90-4
• 分子式：C₁₀H₁₁F₃N₂O₂
• 分子量：248.20200
• 相关类别： 有机原料 有机氟化合物 氟甲苯系列
• 发布时间：2018-08-23 14:11:27
• 更新时间：2024-01-02 12:38:56

名称

• 中文名: 4-异丙基氨-3-硝基三氟甲苯
• 英文名: 2-nitro-N-propan-2-yl-4-(trifluoromethyl)aniline
• 英文别名: 4-(isopropylamino)-3-nitrobenzotrifluoride; n1-isopropyl-2-nitro-4-(trifluoromethyl)aniline; 2-nitro-n-(propan-2-yl)-4-(trifluoromethyl)aniline; isopropyl-(2-nitro-4-trifluoromethyl-phenyl)-amine; MFCD00085098; N-Isopropyl-2-Nitro-4-(Trifluoromethyl)Aniline

物化性质

• 密度: 1.322g/cm3
• 沸点: 288.5ºC at 760 mmHg
• 熔点: 103 °C
• 分子式: C₁₀H₁₁F₃N₂O₂
• 分子量: 248.20200
• 闪点: 128.3ºC
• 精确质量: 248.07700
• PSA: 57.85000
• LogP: 4.03010
• 蒸汽压: 0.00233mmHg at 25°C
• 折射率: 1.515
• 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:6

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积57.8

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:276

  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, 25 ℃ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：103

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC 28 mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（ºF 28mm ）：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-Isopropyl-2-nitro-4-(trifluoromethyl)aniline 97% Material Safety Data Sheet Synonym: CAS: 175277-90-4 Section 1 - Chemical Product MSDS Name:N1-Isopropyl-2-nitro-4-(trifluoromethyl)aniline 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 175277-90-4 N1-Isopropyl-2-nitro-4-(trifluoromethy 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: 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 175277-90-4: 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: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 103 - 105 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: C10H11F3N2O2 Molecular Weight: 248 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents, acids, acid chlorides. 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# 175277-90-4 unlisted. LD50/LC50: Not available. Carcinogenicity: N1-Isopropyl-2-nitro-4-(trifluoromethyl)aniline - 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: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 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# 175277-90-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 175277-90-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 175277-90-4 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): R36/37/38
• 安全声明 (欧洲): S26-S36
• 海关编码: 2921420090

合成路线

367-86-2 75-31-0 ~% 175277-90-4

文献：WO2010/125985 A1, ; Page/Page column 250-251 ;

上下游产品

上游产品  2
367-86-2 75-31-0
下游产品  1
175277-91-5

海关

海关编码	2921420090
中文概述	2921420090 其他苯胺衍生物及其盐. 增值税率:17.0% 退税率:9.0% 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
Summary	HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%