5928-51-8

• 常用中文名：3-(2-噻吩)丙酸
• 常用英文名：3-(2-Thienyl)propionic acid
• CAS号：5928-51-8
• 分子式：C₇H₈O₂S
• 分子量：156.202
• 发布时间：2018-02-24 08:00:00
• 更新时间：2024-01-04 19:02:42
• 下载msds

名称

• 中文名: 3-(2-噻吩)丙酸
• 英文名: 3-(2-Thienyl)propionic acid
• 中文别名: 2-噻吩丙酸; 依普沙坦相关物质B; 3-(2-噻吩基)丙酸
• 英文别名: MFCD00047093; 3-(2-Thienyl)propanoic acid; 3-thien-2-ylpropanoic acid; 3-thiophen-2-ylpropanoic acid; 2-Thiophenepropanoic acid; Eprosartan Impurity 2

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 280.5±15.0 °C at 760 mmHg
• 熔点: 46-49 °C(lit.)
• 分子式: C₇H₈O₂S
• 分子量: 156.202
• 闪点: 123.4±20.4 °C
• 精确质量: 156.024506
• PSA: 65.54000
• LogP: 1.52
• 外观性状: 白色固体
• 蒸汽压: 0.0±0.6 mmHg at 25°C
• 折射率: 1.571
• 储存条件:

  常温，避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：40.38

  2、 摩尔体积（m³/mol）：122.8

  3、 等张比容（90.2K）：328.6

  4、 表面张力（dyne/cm）：51.1

  5、 极化率（10 ^-24cm ³）：16.00

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：3.8

  2、 氢键供体数量：2

  3、 氢键受体数量：3

  4、 可旋转化学键数量：6

  5、 互变异构体数量：3

  6、 拓扑分子极性表面积（TPSA）：59.6

  7、 重原子数量：27

  8、 表面电荷：0

  9、 复杂度：429

  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）：46-49

  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: 3-(2-Thienyl)propanoic acid 98% Material Safety Data Sheet Synonym: CAS: 5928-51-8 Section 1 - Chemical Product MSDS Name:3-(2-Thienyl)propanoic acid 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 5928-51-8 3-(2-Thienyl)propanoic acid 98% 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. Ingestion: May cause irritation of the digestive tract. Inhalation: 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 dry chemical to fight fire. Use carbon dioxide. 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 5928-51-8: 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: white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 155 - 158 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: soluble in ethanol, acetone Specific Gravity/Density: Molecular Formula: Molecular Weight: 156.11 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5928-51-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-(2-Thienyl)propanoic 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 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: 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# 5928-51-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5928-51-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5928-51-8 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: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境

安全

• 符号: GHS05
• 信号词: Danger
• 危害声明: H314
• 警示性声明: P280-P305 + P351 + P338-P310
• 个人防护装备: Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
• 危害码 (欧洲): C: Corrosive;
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S36/37/39-S45
• 危险品运输编码: UN 3261 8/PG 2
• WGK德国: 3
• 海关编码: 2934999090

合成路线

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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%