3-氨基噻吩-2-甲酰胺

3-氨基噻吩-2-甲酰胺 基本信息
CAS号 147123-47-5 分子式 C5H6N2OS
分子量 142.17900 精确质量 　142.02000
PSA 　97.35000 LogP 　1.71070
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目录
基本信息 物化性质 安全信息 合成路线 毒性 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
147123-47-5
3D弹球模型：
立即前往扯扯看
分子式：
C5H6N2OS
分子量：
142.17900
中文名称：
3-氨基噻吩-2-甲酰胺
英文名称：
3-Aminothiophene-2-carboxamide
中文别名：
3-氨基噻吩-2-甲酰胺;
3-氨基噻吩-2-羧酰胺;
3-氨基噻吩-2-羧胺
英文别名：
3-Aminothiophene-2-carboxamide;
3-AMINOTHIOPHENE-2-CARBOXAMIDE
精确分子量/精确质量：
142.02000
极性分子表面积/PSA：
97.35000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00052593
EINECS：
000-000-0
PubChem：
24882516
BRN：
7165908
InChI：
InChI=1/C5H6N2OS/c6-3-1-2-9-4(3)5(7)8/h1-2H,6H2,(H2,7,8)

物化性质展开↓

密度：
1.423 g/cm3
熔点：
120-124 °C(lit.)
沸点：
368.7ºC at 760 mmHg
闪点：
176.8°C
折射率：
1.681
蒸汽压：
1.25E-05mmHg at 25°C
存储条件/存储方法：

保存方法：密闭，阴凉，干燥处

稳定性相关：

避氧化物

其它信息：

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

安全信息展开↓

海关代码：
2934999090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R22
安全说明：
S26-S37/39
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
:
危险标志：
Xn,Xi

合成路线查看所有的合成路线

  • 22288-78-4

    3-氨基-2-噻吩甲酸甲酯

  • →

    ~76%

  • 147123-47-5

    3-氨基噻吩-2-甲酰胺

  • 758-08-7

    2-巯基乙胺

  • +

  • 920-37-6

    2-氯丙烯腈

  • →

    ~63%

  • 147123-47-5

    3-氨基噻吩-2-甲酰胺

毒理性展开↓

生态数据：

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

MSDS 展开↓

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

海关数据查看详细

中国海关编码：2934999090

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
摘要/Summary：
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

分子结构数据

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

计算化学数据

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

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