4651-81-4

• 常用中文名：2-氨基噻吩-3-羧酸甲酯
• 常用英文名：methyl2-aminothiophene-3-carboxylate
• CAS号：4651-81-4
• 分子式：C₆H₇NO₂S
• 分子量：157.190
• 相关类别： 生物化工 氨基酸及其衍生物 酯类氨基酸
• 发布时间：2018-08-28 09:03:08
• 更新时间：2024-01-02 17:46:29
• 下载msds

名称

• 中文名: 2-氨基噻吩-3-羧酸甲酯
• 英文名: Methyl 2-aminothiophene-3-carboxylate
• 中文别名: 2-氨基噻吩-3-甲酸甲酯; 2-氨基噻吩-3-甲酸甲酯; 2-氨基-3-噻吩甲酸甲酯; 2-氨基噻酚羧酸甲酯; 2-氨基-3-羧酸甲酯噻吩; 甲基-2-氨基噻吩-3-羧酸乙酯
• 英文别名: methyl2-aminothiophene-3-carboxylate; 2-amino-3-carbomethoxythiophen; 2-amino-3-methoxycarbonylthiophene; 2-Amino-thiophene-3-carboxylic acid methyl ester; methyl 2-aminothiophene-3-carboxylate; Methyl 2-amino-3-thiophenecarboxylate; methyl 2-aminothiphene-3-carboxylate; MFCD00159547; Methyl 2-amino-3-thenoate; 3-Thiophenecarboxylic acid, 2-amino-, methyl ester; EINECS 225-084-8

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 259.5±20.0 °C at 760 mmHg
• 熔点: 76-81 °C(lit.)
• 分子式: C₆H₇NO₂S
• 分子量: 157.190
• 闪点: 110.7±21.8 °C
• 精确质量: 157.019745
• PSA: 80.56000
• LogP: 2.35
• 外观性状: 白色至淡黄色晶体粉末
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.598
• 储存条件:

  密闭,阴凉干燥处保存，确保有良好的通风

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险发生

  避免强氧化剂

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.7

  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:3

  6.拓扑分子极性表面积80.6

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:140

  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：黄褐色结晶

  2. 密度（g/mLat 25°C）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：76-81

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,16mmHg）：未确定

  7. 折射率（n20/D）：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（mmHg,37ºC）：未确定

  12. 饱和蒸气压（kPa,114.4 ºC）：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（MPa）：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: Methyl 2-aminothiophene-3-carboxylate 97% Material Safety Data Sheet Synonym: CAS: 4651-81-4 Section 1 - Chemical Product MSDS Name:Methyl 2-aminothiophene-3-carboxylate 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 4651-81-4 Methyl 2-aminothiophene-3-carboxylate 97% 225-084-8 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: 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# 4651-81-4: 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: brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 77 - 78 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: C6H7NO2S Molecular Weight: 157 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, acid chlorides. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, oxides of sulfur, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4651-81-4 unlisted. LD50/LC50: Not available. Carcinogenicity: Methyl 2-aminothiophene-3-carboxylate - 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: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 4651-81-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 4651-81-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4651-81-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3
• 海关编码: 2934999090

合成路线

40018-26-6 105-34-0 ~80% 4651-81-4

文献：Hesse, Stephanie; Perspicace, Enrico; Kirsch, Gilbert Tetrahedron Letters, 2007 , vol. 48, # 30 p. 5261 - 5264

53982-98-2 ~% 4651-81-4

文献：Park, Chun-Ho; Lee, Chulho; Yang, Jee Sun; Joe, Bo-Young; Chun, Kwangwoo; Kim, Hyuntae; Kim, Hye Yun; Kang, Jong Soon; Lee, Jangik I.; Kim, Myung-Hwa; Han, Gyoonhee Bioorganic and Medicinal Chemistry Letters, 2014 , vol. 24, # 12 p. 2655 - 2660

75-07-0 105-34-0 ~% 4651-81-4

文献：Mugnaini, Claudia; Pedani, Valentina; Casu, Angelo; Lobina, Carla; Casti, Alberto; MacCioni, Paola; Porcu, Alessandra; Giunta, Daniela; Lamponi, Stefania; Solinas, Maurizio; Dragoni, Stefania; Valoti, Massimo; Colombo, Giancarlo; Castelli, Maria Paola; Gessa, Gian Luigi; Corelli, Federico Journal of Medicinal Chemistry, 2013 , vol. 56, # 9 p. 3620 - 3635

上下游产品

上游产品  4
40018-26-6 105-34-0 53982-98-2 75-07-0
下游产品  10
2125-85-1 18740-38-0 18740-39-1 81321-10-0
126637-07-8 14080-50-3 55654-21-2 22288-81-9
648859-85-2 845889-21-6

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%