中文名 | 5-(甲硫基)噻吩-2-羧酸 |
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英文名 | 5-methylsulfanylthiophene-2-carboxylic acid |
中文别名 |
5-(甲基硫代)噻吩-2-羧酸
5-(甲基硫代)噻吩-2-羧酸 |
英文别名 |
5-Methylsulfanylthiophene-2-carboxylic acid
5-methylthiothiophene-2-carboxylic acid 2-thiophenecarboxylic acid,5-(methylthio) 5-(Methylthio)thiophene-2-carboxylic acid 5-(Methylthio)-2-Thiophenecarboxylic Acid 5-Methylmercapto-thiophen-2-carbonsaeure 5-methylsulfanyl-thiophene-2-carboxylic acid MFCD00173742 |
密度 | 1.43g/cm3 |
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沸点 | 338.2ºC at 760 mmHg |
熔点 | 103 °C |
分子式 | C6H6O2S2 |
分子量 | 174.24100 |
闪点 | 158.4ºC |
精确质量 | 173.98100 |
PSA | 90.84000 |
LogP | 2.16820 |
外观性状 | 类白色固体 |
蒸汽压 | 3.88E-05mmHg at 25°C |
折射率 | 1.642 |
储存条件 | 2-8°C,避光保存,干燥密封 |
分子结构 | 1、 摩尔折射率:43.80 2、 摩尔体积(cm3/mol):121.1 3、 等张比容(90.2K):341.3 4、 表面张力(dyne/cm):62.9 5、 极化率(10-24cm3):17.36 |
计算化学 | 1.疏水参数计算参考值(XlogP):2.3 2.氢键供体数量:1 3.氢键受体数量:4 4.可旋转化学键数量:2 5.互变异构体数量:无 6.拓扑分子极性表面积90.8 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. 熔点(ºC):103 |
Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
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# 20873-58-9: 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: beige Odor: pungent odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 98 - 103 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: C6H6O2S2 Molecular Weight: 174.1608 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, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 20873-58-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 5-(Methylthio)thiophene-2-carboxylic 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# 20873-58-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 20873-58-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 20873-58-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
危害码 (欧洲) | Xi |
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风险声明 (欧洲) | R36/37/38 |
安全声明 (欧洲) | S26-S36/37/39 |
海关编码 | 2934999090 |
~95% 20873-58-9 |
文献:Kopp, Felix; Wunderlich, Stefan; Knochel, Paul Chemical Communications, 2007 , # 20 p. 2075 - 2077 |
~% 20873-58-9 |
文献:Zhurnal Obshchei Khimii, , vol. 29, p. 3636,3639; engl. Ausg. S. 3596, 3598 |
~% 20873-58-9 |
文献:Journal of the Chemical Society, , p. 237,241 |
上游产品 4 | |
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下游产品 1 | |
海关编码 | 2934999090 |
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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% |