147123-47-5

• 常用中文名：3-氨基噻吩-2-羧酰胺
• 常用英文名：3-Aminothiophene-2-carboxamide
• CAS号：147123-47-5
• 分子式：C₅H₆N₂OS
• 分子量：142.17900
• 相关类别： 医药中间体 杂环化合物 噻吩类化合物
• 发布时间：2018-06-21 11:58:56
• 更新时间：2024-01-12 13:32:03
• 下载msds

名称

• 中文名: 3-氨基噻吩-2-甲酰胺
• 英文名: 3-Aminothiophene-2-carboxamide
• 中文别名: 3-氨基噻吩-2-羧酰胺; 3-氨基噻吩-2-羧胺
• 英文别名: MFCD00052593; 3-aminothiophene-2-carboxamide

物化性质

• 密度: 1.423 g/cm3
• 沸点: 368.7ºC at 760 mmHg
• 熔点: 120-124 °C(lit.)
• 分子式: C₅H₆N₂OS
• 分子量: 142.17900
• 精确质量: 142.02000
• PSA: 97.35000
• LogP: 1.71070
• 蒸汽压: 1.25E-05mmHg at 25°C
• 折射率: 1.681
• 储存条件:

  保存方法：密闭，阴凉，干燥处

• 稳定性:

  避氧化物

• 分子结构:

  1、摩尔折射率：37.8

  2、摩尔体积（cm³/mol）：99.8

  3、等张比容（90.2K）：290.6

  4、表面张力（dyne/cm）：71.7

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：14.98

  7、单一同位素质量：142.020083 Da

  8、标称质量：142 Da

  9、平均质量：142.1789 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.7

  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:1

  5.互变异构体数量:5

  6.拓扑分子极性表面积97.4

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:128

  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：白色或奶油色固体

  2. 密度（g/mL, 20 ℃ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：120-122

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC 3mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（ºF）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：不适用的

  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-Aminothiophene-2-carboxamide 97% Material Safety Data Sheet Synonym: CAS: 147123-47-5 Section 1 - Chemical Product MSDS Name:3-Aminothiophene-2-carboxamide 97% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 147123-47-5 3-Aminothiophene-2-carboxamide 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: 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# 147123-47-5: 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: off-white Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 120 - 122 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: C5H6N2OS Molecular Weight: 142 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. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 147123-47-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Aminothiophene-2-carboxamide - 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# 147123-47-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 147123-47-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 147123-47-5 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: 1、其它有害作用：通常对水是稍微危害的，若无政府许可，勿将材料排入周围环境

安全

• 符号: GHS06
• 信号词: Danger
• 危害声明: H301-H317-H319
• 警示性声明: P280-P301 + P310-P305 + P351 + P338
• 个人防护装备: dust mask type N95 (US);Eyeshields;Faceshields;Gloves
• 危害码 (欧洲): Xn,Xi
• 风险声明 (欧洲): R22
• 安全声明 (欧洲): S26-S37/39
• 危险品运输编码: UN 2811 6.1/PG 3
• WGK德国: 3
• 海关编码: 2934999090

合成路线

758-08-7 920-37-6 ~63% 147123-47-5

文献：Huddleston, Patrick R.; Barker, John M.; Adamczewska, Yolante Z.; Wood, Michael L.; Holmes, David Journal of Chemical Research, Miniprint, 1993 , # 2 p. 548 - 575

22288-78-4 ~76% 147123-47-5

文献：Klemm, L. H.; Wang, Jun; Hawkins, Lucas Journal of Heterocyclic Chemistry, 1995 , vol. 32, # 3 p. 1039 - 1042

上下游产品

上游产品  3
758-08-7 920-37-6 22288-78-4
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147972-26-7 319442-19-8 16269-66-2 16233-51-5
16234-10-9

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%