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Methyl 3-aminothiophene-2-carboxylate

Methyl 3-aminothiophene-2-carboxylate structure

CAS No:
22288-78-4
Formula:
C6H7NO2S
Chemical Name:
Methyl 3-aminothiophene-2-carboxylate
Synonyms:
2-Thiophenecarboxylic acid,3-amino-,methyl ester;3-Amino-2-methoxycarbonylthiophene;Methyl 3-amino-2-thiophenecarboxylate;3-Amino-2-thiophenecarboxylic acid methyl ester;3-Aminothiophen-2-carboxylic acid methyl ester;Methyl 3-aminothiophene-2-carboxylate
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

white to light yellow crystal powder

Methyl 3-aminothiophene-2-carboxylate Basic Attributes

Molecular Weight：

157.19

Exact Mass：

157.19

BRN：

1365614

EC Number：

244-895-8

UNII：

E7S8G23AHX

DSSTox ID：

DTXSID7073436

HScode：

2934999090

Characteristics

PSA：

80.6

XLogP3：

1.7

Appearance：

Beige to beige-brown Fine Crystalline Powder

Density：

1.3±0.1 g/cm3

Melting Point：

65 °C

Boiling Point：

101 °C

Flash Point：

100-102°C/0.1mm

Refractive Index：

1.598

Water Solubility：

Slightly soluble in water.

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Vapor Pressure：

0.000126mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-37/39-36/37/39-22

RTECS Number：

XM8347500

Marks：

Hazard note：

Irritant

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (96.15%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 52 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl 3-aminothiophene-2-carboxylate Use and Manufacturing

Methods of Manufacturing

The preparation method is to add sodium methoxide solution, methanol, and methyl thioglycolate to the reaction kettle, stir and cool, and add a certain amount of dichloroacrylonitrile methanol solution to the kettle for about 4 to 5 hours. After the addition, Keep the temperature for 16 h, then heat to evaporate the methanol, add water to cool to obtain crystals, and filter to obtain the finished product.

Uses

It is used as an intermediate for pesticides and pharmaceuticals. It is an intermediate for the synthesis of pesticides thiabendazole, broad-leaf powder and the drug tenoxicam

Manufacturing Info：

2-Thiophenecarboxylic acid, 3-amino-, methyl ester: INACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Computed Properties

Molecular Weight:157.19
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:157.01974964
Monoisotopic Mass:157.01974964
Topological Polar Surface Area:80.6
Heavy Atom Count:10
Complexity:140
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Acrylonitrile

Methanol

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CAS No.: 22288-78-4

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Guide of Methyl 3-aminothiophene-2-carboxylate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Methyl 3-aminothiophene-2-carboxylate

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