2-氨基噻吩-3-羧酸甲酯

2-氨基噻吩-3-羧酸甲酯 基本信息
CAS号 4651-81-4 分子式 C6H7NO2S
分子量 157.19000 精确质量 　157.02000
PSA 　80.56000 LogP 　1.69810
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目录
基本信息 物化性质 安全信息 合成路线 MSDS 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
4651-81-4
3D弹球模型：
立即前往扯扯看
分子式：
C6H7NO2S
分子量：
157.19000
中文名称：
2-氨基噻吩-3-羧酸甲酯
英文名称：
Methyl 2-aminothiophene-3-carboxylate
中文别名：
2-氨基噻吩-3-羧酸甲酯;
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：
Methyl 2-aminothiophene-3-carboxylate;
methyl 2-amino-3-thiophenecarboxylate;
Methyl 2-amino-3-thenoate;
2-amino-3-carbomethoxythiophen;
methyl2-aminothiophene-3-carboxylate;
methyl 2-aminothiphene-3-carboxylate;
Methyl 2-Aminothiophene-3-carboxylate;
2-amino-3-methoxycarbonylthiophene;
2-Amino-thiophene-3-carboxylic acid methyl ester
精确分子量/精确质量：
157.02000
极性分子表面积/PSA：
80.56000
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：
MFCD00159547
EINECS：
225-084-8
PubChem：
24880077
InChI：
InChI=1/C6H7NO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,7H2,1H3

物化性质展开↓

外观与性状：
白色至淡黄色晶体粉末
密度：
1.32g/cm3
熔点：
76-81 °C(lit.)
沸点：
259.451ºC at 760 mmHg
闪点：
110.712ºC
折射率：
1.598
存储条件/存储方法：

密闭,阴凉干燥处保存，确保有良好的通风

 

稳定性相关：

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

其它信息：

1.       性状：黄褐色结晶

2.       密度（g/mL at 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

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：
R36/37/38
安全说明：
S26-S36
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。
S36:穿戴合适的防护服装。
危险标志：
Xi:Irritant;

合成路线查看所有的合成路线

  • 40018-26-6

    1,4-二硫-2,5-二醇

  • +

  • 105-34-0

    氰乙酸甲酯

  • →

    ~80%

  • 4651-81-4

    2-氨基噻吩-3-羧酸甲酯

  • 75-07-0

    乙醛

  • +

  • 105-34-0

    氰乙酸甲酯

  • →

  • 4651-81-4

    2-氨基噻吩-3-羧酸甲酯

  • 53982-98-2

    methyl 2-cyanobut-2-enoate

  • →

  • 4651-81-4

    2-氨基噻吩-3-羧酸甲酯

MSDS 展开↓

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

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↓

计算化学数据

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

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