5780-36-9

• 常用中文名：2-(甲基硫代)噻吩
• 常用英文名：2-(Methylthio)thiophene
• CAS号：5780-36-9
• 分子式：C₅H₆S₂
• 分子量：130.231
• 发布时间：2018-08-08 22:04:55
• 更新时间：2024-01-03 15:32:39

名称

• 中文名: 2-(甲基硫代)噻吩
• 英文名: 2-(Methylthio)thiophene
• 中文别名: 2-(甲硫基)噻吩
• 英文别名: Methyl 2-thienyl sulfide; 2-(Methylmercapto)thiophene; MFCD00052382; 2-(Methylthio)thiophene; T5SJ BS1; 2-methylsulfanylthiophene; 2-(Methylsulfanyl)thiophene; Thiophene, 2-(methylthio)-

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 191.5±13.0 °C at 760 mmHg
• 分子式: C₅H₆S₂
• 分子量: 130.231
• 闪点: 69.6±19.8 °C
• 精确质量: 129.991089
• PSA: 53.54000
• LogP: 2.68
• 蒸汽压: 0.7±0.4 mmHg at 25°C
• 折射率: 1.599
• 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：37.53

  2、 摩尔体积（m³/mol）：109.9

  3、 等张比容（90.2K）：280.9

  4、 表面张力（dyne/cm）：42.6

  5、 极化率（10 ^-24cm ³）：14.87

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.4

  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.互变异构体数量:无

  6.拓扑分子极性表面积53.5

  7.重原子数量:7

  8.表面电荷:0

  9.复杂度:54

  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）：未确定

  5. 沸点（ºC,常压）：100

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：1.5960

  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-(Methylthio)thiophene 97% Material Safety Data Sheet Synonym: CAS: 5780-36-9 Section 1 - Chemical Product MSDS Name:2-(Methylthio)thiophene 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 5780-36-9 2-(Methylthio)thiophene 97% unlisted Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: May cause 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. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood. 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# 5780-36-9: 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: Liquid Color: yellow Odor: stench - pungent odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 82 - 84 deg C @15mmHg 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: C5H6S2 Molecular Weight: 130 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5780-36-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-(Methylthio)thiophene - 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: AVIATION REGULATED LIQUID, N.O.S.* Hazard Class: 9 UN Number: 3334 Packing Group: IMO Shipping Name: Hazard Class: UN Number: 3334 Packing Group: RID/ADR Shipping Name: Hazard Class: UN Number: 3334 Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 5780-36-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5780-36-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5780-36-9 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

• 危害码 (欧洲): Xi
• 安全声明 (欧洲): S23-S24/25
• 危险品运输编码: UN3334
• 危险类别: 9
• 海关编码: 2934999090

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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%