1505-52-8

• 常用中文名：3-甲基苯并[B]噻吩-2-乙酸
• 常用英文名：3-methylthianaphthene-2-acetic acid
• CAS号：1505-52-8
• 分子式：C₁₁H₁₀O₂S
• 分子量：206.26100
• 发布时间：2019-01-01 12:48:56
• 更新时间：2024-01-05 12:39:53

名称

• 中文名: 3-甲基苯并[B]噻吩-2-乙酸
• 英文名: 2-(3-methyl-1-benzothiophen-2-yl)acetic acid
• 中文别名: 3-甲基苯并[b]噻吩-2-乙酸
• 英文别名: MFCD00052299; 3-Methylbenzo[b]thiophene-2-acetic acid

物化性质

• 密度: 1.315g/cm3
• 沸点: 391.8ºC at 760mmHg
• 熔点: 148-150°C
• 分子式: C₁₁H₁₀O₂S
• 分子量: 206.26100
• 闪点: 190.8ºC
• 精确质量: 206.04000
• PSA: 65.54000
• LogP: 2.83680
• 蒸汽压: 7.65E-07mmHg at 25°C
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物、碱

• 分子结构:

  1、 摩尔折射率：58.41

  2、 摩尔体积（m³/mol）：156.7

  3、 等张比容（90.2K）：430.3

  4、 表面张力（dyne/cm）: 56.7

  5、 介电常数：无可用

  6、 偶极距（10 ^-24cm ³）：无可用

  7、 极化率：23.15

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：3.9

  2、 氢键供体数量：0

  3、 氢键受体数量：2

  4、 可旋转化学键数量：1

  5、 拓扑分子极性表面积（TPSA）：40.1

  6、 重原子数量：14

  7、 表面电荷：-1

  8、 复杂度：224

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  1. 性状：固体。

  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）：148-150

  5. 沸点（ºC,常压）：未确定

  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: 2-(3-Methylbenzo[b]thiophen-2-yl)acetic acid 97% Material Safety Data Sheet Synonym: CAS: 1505-52-8 Section 1 - Chemical Product MSDS Name:2-(3-Methylbenzo[b]thiophen-2-yl)acetic acid 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1505-52-8 2-(3-Methylbenzo[b]thiophen-2-yl)aceti 97% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW 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: 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. 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: 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# 1505-52-8: 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: light brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 148 - 150 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: C11H10O2S Molecular Weight: 206 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, reducing agents, bases, acid chlorides. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1505-52-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-(3-Methylbenzo[b]thiophen-2-yl)acetic acid - 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# 1505-52-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1505-52-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1505-52-8 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: 对是水稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，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): S26-S36/37/39
• 海关编码: 2934999090

合成路线

1455-18-1 ~% 1505-52-8

文献：Journal of the American Chemical Society, , vol. 74, p. 2185,2187

18781-31-2 ~% 1505-52-8

文献：Journal of the American Chemical Society, , vol. 74, p. 2185,2187

58863-51-7 60-29-7 541-41-3 ~% 4923-91-5 详细

文献：Journal of the American Chemical Society, , vol. 74, p. 2991,2993

3216-47-5 ~% 1505-52-8

文献：Journal of the American Chemical Society, , vol. 74, p. 2185,2187

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%