2775-38-4

• 常用中文名：2,4-二氯苯硫酰胺
• 常用英文名：2,4-dichloro-thiobenzamide
• CAS号：2775-38-4
• 分子式：C₇H₅Cl₂NS
• 分子量：206.09200
• 发布时间：2018-07-17 18:54:47
• 更新时间：2024-01-03 17:34:39

名称

• 中文名: 2,4-二氯硫代苯胺
• 英文名: 2,4-dichlorobenzenecarbothioamide
• 中文别名: 2,4-二氯苯硫酰胺; 2,4-二氯硫代苯甲酰胺
• 英文别名: 2,4,6-TRIBROMOPHENYL ACETATE; 2,4-Dichlor-thiobenzamid; 2,4-Dichlorothiobenzamide; 2,4-Dichlorobenzothioamide; 2,4-dichlorobenzene-1-carbothioamide; MFCD00173930

物化性质

• 密度: 1.473g/cm3
• 沸点: 311.5ºC at 760mmHg
• 熔点: 135 °C
• 分子式: C₇H₅Cl₂NS
• 分子量: 206.09200
• 闪点: 142.2ºC
• 精确质量: 204.95200
• PSA: 58.11000
• LogP: 3.32790
• 外观性状: 黄色粉末
• 蒸汽压: 0.00056mmHg at 25°C
• 折射率: 1.669
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：52.23

  2、 摩尔体积（m³/mol）：139.9

  3、 等张比容（90.2K）：394.9

  4、 表面张力（dyne/cm）：63.4

  5、 极化率（10^-24cm³）：20.70

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.7

  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:1

  5.互变异构体数量:2

  6.拓扑分子极性表面积58.1

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:163

  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：黄色粉末

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：135

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: 2 4-Dichlorothiobenzamide 98% Material Safety Data Sheet Synonym: CAS: 2775-38-4 Section 1 - Chemical Product MSDS Name:2 4-Dichlorothiobenzamide 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 2775-38-4 2,4-Dichlorothiobenzamide 98% unlisted Hazard Symbols: XN Risk Phrases: 22 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: May cause 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. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. 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: Keep refrigerated. (Store below 4C/39F.) Store in a tightly closed container. Store in a dry area. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 2775-38-4: 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 or liquid Color: Not available. 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: C7H5Cl2NS Molecular Weight: 206.09 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: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 2775-38-4 unlisted. LD50/LC50: Not available. Carcinogenicity: 2,4-Dichlorothiobenzamide - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 22 Harmful if swallowed. Safety Phrases: WGK (Water Danger/Protection) CAS# 2775-38-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 2775-38-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 2775-38-4 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

生态学数据: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S37/39-S26
• 危险品运输编码: UN2811
• 包装等级: III
• 危险类别: 6.1

合成路线

2447-79-2 ~% 2775-38-4

文献：Yadav, Arvind K.; Srivastava, Vishnu P.; Yadav, Lal Dhar S. Synthetic Communications, 2014 , vol. 44, # 3 p. 408 - 416

6574-98-7 ~92% 2775-38-4

文献：Khosropour; Noei; Mirjafari Journal of the Iranian Chemical Society, 2010 , vol. 7, # 3 p. 752 - 758

56843-28-8 ~82% 2775-38-4

文献：Noei, Jalil; Khosropour, Ahmad R. Tetrahedron Letters, 2008 , vol. 49, # 49 p. 6969 - 6971

874-42-0 ~% 2775-38-4

文献：Yadav, Arvind K.; Srivastava, Vishnu P.; Yadav, Lal Dhar S. Synthetic Communications, 2014 , vol. 44, # 3 p. 408 - 416

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