16423-54-4

• 常用中文名：5-氯-2-(甲硫基)苯胺
• 常用英文名：5-CHLORO-2-(METHYLTHIO)ANILINE
• CAS号：16423-54-4
• 分子式：C₇H₈ClNS
• 分子量：173.66300
• 发布时间：2018-03-23 08:00:00
• 更新时间：2024-01-10 17:31:28

名称

• 中文名: 5-氯-2-(甲硫基)苯胺
• 英文名: 5-chloro-2-methylsulfanylaniline
• 中文别名: 5-氯-2-(甲硫基)苯胺; 5-氯-2-甲基硫代苯胺; 5-氯-2-甲基硫代苯胺
• 英文别名: 4-Chlor-2-amino-thioanisol; 5-chloro-2-(methylthio)aniline; 2-amino-4-chlorophenyl methyl sulphide; 5-Chlor-2-methylmercapto-anilin; 2-AMINO-4-CHLOROTHIOANISOLE; 5-chloro-2-methylsulfanyl-aniline; 5-chloro-2-methylthiophenylamine; Methyl-(4-chlor-2-amino-phenyl)-sulfid; 5-chloro-2-(methylthio)benzenamine

物化性质

• 密度: 1.28g/cm3
• 沸点: 276ºC at 760mmHg
• 分子式: C₇H₈ClNS
• 分子量: 173.66300
• 闪点: 120.7ºC
• 精确质量: 173.00700
• PSA: 51.32000
• LogP: 3.22530
• 外观性状: 固体
• 蒸汽压: 0.00493mmHg at 25°C
• 折射率: 1.627
• 储存条件: 2-8°C， 密封， 干燥
• 分子结构:

  1、 摩尔折射率：47.83

  2、 摩尔体积（m³/mol）：134.9

  3、 等张比容（90.2K）：361.1

  4、 表面张力（dyne/cm）：51.3

  5、 极化率（10^-24cm³）：18.96

• 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:2

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积51.3

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:110

  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,25/4℃）：未确定

  3.相对蒸汽密度（g/mL,空气=1）：未确定

  4.熔点（ºC）：未确定

  5. 沸点（ºC,常压）： 92 °C 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: 5-chloro-2-(methylthio)aniline Material Safety Data Sheet Synonym: CAS: 16423-54-4 Section 1 - Chemical Product MSDS Name:5-chloro-2-(methylthio)aniline Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 16423-54-4 5-chloro-2-(methylthio)aniline, 95%+ unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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# 16423-54-4: 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: Liquid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 124 deg C @4mmHg 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: C7H8ClNS Molecular Weight: 173.66 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, nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 16423-54-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-chloro-2-(methylthio)aniline, 95%+ - 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 LIQUID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 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. 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 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 16423-54-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 16423-54-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 16423-54-4 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): Xn:Harmful;
• 风险声明 (欧洲): R20/21/22;R36/37/38
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2930909090

合成路线

1004-00-8 74-88-4 ~60% 16423-54-4

文献：Hodson, Stephen J.; Bishop, Michael J.; Speake, Jason D.; Navas III, Frank; Garrison, Deanna T.; Bigham, Eric C.; Saussy Jr., David L.; Liacos, James A.; Irving, Paul E.; Jeffrey Gobel; Sherman, Bryan W. Journal of Medicinal Chemistry, 2002 , vol. 45, # 11 p. 2229 - 2239

1006-99-1 ~% 16423-54-4

文献：Hodson, Stephen J.; Bishop, Michael J.; Speake, Jason D.; Navas III, Frank; Garrison, Deanna T.; Bigham, Eric C.; Saussy Jr., David L.; Liacos, James A.; Irving, Paul E.; Jeffrey Gobel; Sherman, Bryan W. Journal of Medicinal Chemistry, 2002 , vol. 45, # 11 p. 2229 - 2239

1889-57-2 ~% 16423-54-4

文献：Goldkamp,A.H. Journal of Organic Chemistry, 1969 , vol. 34, # 6 p. 1780 - 1785

89-61-2 ~% 16423-54-4

文献：Goldkamp,A.H. Journal of Organic Chemistry, 1969 , vol. 34, # 6 p. 1780 - 1785

36776-27-9 ~% 16423-54-4

文献：Brand; Groebe Journal fuer Praktische Chemie (Leipzig), 1924 , vol. <2> 108, p. 12

上下游产品

上游产品  6
1004-00-8 74-88-4 1006-99-1 1889-57-2
89-61-2 36776-27-9
下游产品  0

海关

海关编码	2930909090
中文概述	2930909090. 其他有机硫化合物. 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:30.0%
申报要素	品名, 成分含量, 用途
Summary	2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%