30216-44-5

• 常用中文名：2-溴硫代苯甲酰胺
• 常用英文名：(4-ACETYLAMINO-BENZENESULFONYLAMINO)-ACETICACID
• CAS号：30216-44-5
• 分子式：C₇H₆BrNS
• 分子量：216.09800
• 发布时间：2018-04-17 08:00:00
• 更新时间：2024-01-08 23:07:00
• 下载msds

名称

• 中文名: 2-溴硫醇苯甲酰胺
• 英文名: 2-bromobenzenecarbothioamide
• 中文别名: 2-溴硫代苯甲酰胺
• 英文别名: o-bromobenzylthioamide; MFCD04973314; 2-Bromobenzothioamide; 2-bromobenzene-1-carbothioamide; Thiobenzamide,2-bromo; 2-Bromothiobenzamide; 2-Bromthiobenzamid; m-bromo-thiobenzamide

物化性质

• 密度: 1.634g/cm3
• 沸点: 307ºC at 760mmHg
• 熔点: 83ºC
• 分子式: C₇H₆BrNS
• 分子量: 216.09800
• 闪点: 139.5ºC
• 精确质量: 214.94000
• PSA: 58.11000
• LogP: 2.78360
• 外观性状: 白色,米色至黄色粉末
• 折射率: 1.683
• 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：50.13

  2、 摩尔体积（m³/mol）：132.1

  3、 等张比容（90.2K）：373.6

  4、 表面张力（dyne/cm）：63.8

  5、 极化率（10^-24cm³）：19.87

• 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: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:10

  8.表面电荷:0

  9.复杂度:138

  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：无可用

  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）：83

  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-Bromothiobenzamide 98% Material Safety Data Sheet Synonym: CAS: 30216-44-5 Section 1 - Chemical Product MSDS Name:2-Bromothiobenzamide 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 30216-44-5 2-Bromothiobenzamide 98% unlisted Hazard Symbols: XN Risk Phrases: 22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. 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. 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: 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: 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# 30216-44-5: 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: 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: C7H6BrNS Molecular Weight: 216.1 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 30216-44-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Bromothiobenzamide - 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 22 Harmful 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 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 30216-44-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 30216-44-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 30216-44-5 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

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H319
• 警示性声明: P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 37/39-26
• 危险品运输编码: UN 3335
• 海关编码: 2930909090

合成路线

4001-73-4 ~19% 30216-44-5

文献：MERCK SHARP and DOHME LIMITED Patent: WO2006/97766 A1, 2006 ; Location in patent: Page/Page column 20 ; WO 2006/097766 A1

2042-37-7 ~62% 30216-44-5

文献：Nagl, Michael; Panuschka, Claudia; Barta, Andrea; Schmid, Walther Synthesis, 2008 , # 24 art. no. T10508SS, p. 4012 - 4018

34158-72-0 ~82% 30216-44-5

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

上下游产品

上游产品  3
4001-73-4 2042-37-7 34158-72-0
下游产品  1
30216-46-7

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%