4949-69-3

• 常用中文名：4-碘-3-甲基苯胺
• 常用英文名：4-Iodo-3-methylaniline
• CAS号：4949-69-3
• 分子式：C₇H₈IN
• 分子量：233.05000
• 发布时间：2018-05-24 08:00:00
• 更新时间：2024-01-05 14:32:40

名称

• 中文名: 4-碘-3-甲基苯胺
• 英文名: 4-Iodo-3-methylaniline
• 英文别名: 4-iodo-3-methylaniline; MFCD01569451

物化性质

• 熔点: 50-55ºC
• 分子式: C₇H₈IN
• 分子量: 233.05000
• 精确质量: 232.97000
• PSA: 26.02000
• LogP: 2.76300
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  常温常压下稳定，避免与光照接触。

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.3

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积26

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:94.9

  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：米色或棕色或深灰色结晶性粉末

  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）：50-55

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,3mmHg）：未确定

  7. 折射率(n20/D)：未确定

  8. 闪点（ºF）：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（mPa,20ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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：不溶于水

MSDS

Name: 4-Iodo-3-methylaniline 98% Material Safety Data Sheet Synonym: CAS: 4949-69-3 Section 1 - Chemical Product MSDS Name:4-Iodo-3-methylaniline 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 4949-69-3 4-Iodo-3-methylaniline 98% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.Light sensitive. 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. 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. Avoid generating dusty conditions. 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# 4949-69-3: 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: Crystalline powder Color: beige - brown - dark gray Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 49 - 51 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: Insoluble. Specific Gravity/Density: Molecular Formula: C7H8IN Molecular Weight: 233.05 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Light. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen iodide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4949-69-3 unlisted. LD50/LC50: Not available. Carcinogenicity: 4-Iodo-3-methylaniline - 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# 4949-69-3: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4949-69-3 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4949-69-3 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-S37/39
• 海关编码: 2921430090

合成路线

108-44-1 ~98% 4949-69-3

文献：Hajipour, Abdol R.; Arbabian, Marty; Ruoho, Arnold E. Journal of Organic Chemistry, 2002 , vol. 67, # 24 p. 8622 - 8624

5326-38-5 ~% 4949-69-3

文献：Burton; Kenner Journal of the Chemical Society, 1922 , vol. 121, p. 677

537-92-8 ~% 4949-69-3

文献：Wheeler American Chemical Journal, 1910 , vol. 44, p. 131 Chem. Zentralbl., 1910 , vol. 81, # II p. 877

100377-05-7 108-44-1 ~% 4949-69-3

文献：Neiland et al. Zhurnal Obshchei Khimii, 1956 , vol. 26, p. 3139,3143; engl. Ausg. S. 3499, 3503

60-29-7 7732-18-5 108-44-1 ~% 4949-69-3 详细

文献：Wheeler American Chemical Journal, 1910 , vol. 44, p. 131 Chem. Zentralbl., 1910 , vol. 81, # II p. 877

5326-38-5 ~% 4949-69-3 108-44-1

文献：Wu, George; Huang, Mingsheng; Richards, Monique; Poirier, Marc; Wen, Xin; Draper, Richard W. Synthesis, 2003 , # 11 p. 1657 - 1660

上下游产品

上游产品  6
108-44-1 5326-38-5 537-92-8 100377-05-7
60-29-7 7732-18-5
下游产品  2
623907-55-1 7553-56-2

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%