4534-11-6

• 常用中文名：4-异丙基-3-甲基苯胺盐酸盐
• 常用英文名：3-METHYL-4-ISOPROPYLANILINE HYDROCHLORIDE
• CAS号：4534-11-6
• 分子式：C₁₀H₁₆ClN
• 分子量：185.69400
• 发布时间：2018-09-27 16:45:42
• 更新时间：2024-01-30 12:29:06
• 下载msds

名称

• 中文名: 4-异丙基-3-甲基苯胺盐酸盐
• 英文名: 4-Isopropyl-3-Methylaniline Hydrochloride
• 中文别名: 4-异丙基-3-甲基苯胺.盐酸盐
• 英文别名: EINECS 224-876-0; 3-Methyl-4-isopropylaniline hydrochloride; 4-Isopropyl-3-methylaniline hydrochloride; MFCD00156562; 3-methyl-4-propan-2-ylaniline,hydrochloride

物化性质

• 沸点: 247ºC at 760mmHg
• 熔点: 223ºC
• 分子式: C₁₀H₁₆ClN
• 分子量: 185.69400
• 闪点: 106ºC
• 精确质量: 185.09700
• PSA: 26.02000
• LogP: 4.08380
• 折射率: 1.538
• 储存条件:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：49.49

  2、 摩尔体积（m³/mol）：158.0

  3、 等张比容（90.2K）：385.7

  4、 表面张力（dyne/cm）：35.4

  5、 极化率（10 ^-24cm ³）：19.62

• 计算化学:

  1、 氢键供体数量：2

  2、 氢键受体数量：1

  3、 可旋转化学键数量：1

  4、 拓扑分子极性表面积（TPSA）：26

  5、 重原子数量：12

  6、 表面电荷：0

  7、 复杂度：120

  8、 同位素原子数量：0

  9、 确定原子立构中心数量：0

  10、 不确定原子立构中心数量：0

  11、 确定化学键立构中心数量：0

  12、 不确定化学键立构中心数量：0

  13、 共价键单元数量：2

• 更多:

  1. 性状：固体

  2. 密度(g/mL,25 °C)：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：222-225

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC,50mmHg）：不确定

  7. 折射率：不确定

  8. 闪点（ºF）：不确定

  9. 比旋光度（º，C=1, Toluene）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Name: 4-Isopropyl-3-methylaniline hydrochloride Material Safety Data Sheet Synonym: CAS: 4534-11-6 Section 1 - Chemical Product MSDS Name:4-Isopropyl-3-methylaniline hydrochloride Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 4534-11-6 4-Isopropyl-3-methylaniline hydrochlor 224-876-0 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# 4534-11-6: 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: grey 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: C10H16ClN Molecular Weight: 186 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4534-11-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Isopropyl-3-methylaniline hydrochloride - 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# 4534-11-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4534-11-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4534-11-6 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: 主要的刺激性影响 在皮肤上面：刺激皮肤和粘膜 在眼睛上面：刺激的影响 致敏作用：没有已知的敏化影响 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): Xn:Harmful;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36/37
• 海关编码: 2921430090

合成路线

64123-64-4 ~95% 4534-11-6

文献：American Cyanamid Company Patent: US4165231 A1, 1979 ;

4514-88-9 ~42% 4534-11-6

文献：Koval'skaya, S. S.; Kozlov, N. G.; Shavyrin, S. V. Chemistry of Natural Compounds, 1991 , vol. 27, # 1 p. 24 - 27 Khimiya Prirodnykh Soedinenii, 1991 , # 1 p. 29 - 32

上下游产品

上游产品  2
64123-64-4 4514-88-9
下游产品  0

制备

常温，避光，通风干燥处，密封保存

海关

海关编码	2921430090
中文概述	2921430090 甲苯胺及其衍生物以及它们的盐. 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, 原产地证据文件及编号(例 附原产地证书, 原产于欧盟的
Summary	HS:2921430090 toluidines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%