175135-07-6

• 常用中文名：苯并噻吩-2-羧酸肼
• 常用英文名：benzo[b]thiophene-2-carboxylic hydrazide
• CAS号：175135-07-6
• 分子式：C₉H₈N₂OS
• 分子量：192.23800
• 发布时间：2018-06-23 23:14:38
• 更新时间：2024-01-19 18:31:44

名称

• 中文名: 苯并噻吩-2-羧酸肼
• 英文名: benzo[b]thiophene-2-carboxylic hydrazide
• 中文别名: 苯并[b]噻吩-2-羧酰肼
• 英文别名: 1-benzothiophene-2-carbohydrazide; Benzo[b]thiophene-2-carboxylic hydrazide; MFCD00052501

物化性质

• 密度: 1.367g/cm3
• 熔点: 176-178 °C
• 分子式: C₉H₈N₂OS
• 分子量: 192.23800
• 精确质量: 192.03600
• PSA: 83.36000
• LogP: 2.59600
• 外观性状: 灰白色至米色针状
• 折射率: 1.711
• 储存条件:

  保存方法：密闭，阴凉，通风干燥处

• 稳定性:

  避氧化物

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：1.8

  2、 氢键供体数量：2

  3、 氢键受体数量：2

  4、 可旋转化学键数量：1

  5、 变异构体数量：2

  6、 拓扑分子极性表面积（TPSA）：55.1

  7、 重原子数量：13

  8、 表面电荷：0

  9、 复杂度：210

  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：白色晶体状粉末

  2. 密度（g/mL, 20 ℃ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：184-187

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC 4 mmHg）：未确定

  7. 折射率：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（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：不能溶解于水的

MSDS

Name: benzo[b]thiophene-2-carbohydrazide Material Safety Data Sheet Synonym: CAS: 175135-07-6 Section 1 - Chemical Product MSDS Name:benzo[b]thiophene-2-carbohydrazide Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 175135-07-6 benzo[b]thiophene-2-carbohydrazide 97 unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation. Section 4 - FIRST AID MEASURES Eyes: Not available. Skin: Not available. Ingestion: Not available. Inhalation: Not available. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: Not available. Extinguishing Media: Not available. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Not available. Section 7 - HANDLING and STORAGE Handling: Not available. Storage: Not available. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Exposure Limits CAS# 175135-07-6: Personal Protective Equipment Eyes: Not available. Skin: Not available. Clothing: Not available. Respirators: Not available. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: off-white - yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 240 - 242 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: Specific Gravity/Density: Molecular Formula: C8H5FN2O Molecular Weight: 164 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Not available. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 175135-07-6 unlisted. LD50/LC50: Not available. Carcinogenicity: benzo[b]thiophene-2-carbohydrazide - 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: Not available. Risk Phrases: Safety Phrases: WGK (Water Danger/Protection) CAS# 175135-07-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 175135-07-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 175135-07-6 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

生态学数据: 1、其它有害作用：通常对水不危害的，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S37/39-S26
• 海关编码: 2934999090

合成路线

923695-79-8 ~% 175135-07-6

文献：Bioorganic and Medicinal Chemistry Letters, , vol. 18, # 3 p. 1131 - 1134

海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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:20.0%
申报要素	品名, 成分含量, 用途
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%