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4651-81-4

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Basic Information
CAS No.: 4651-81-4
Name: Methyl 2-aminothiophene-3-carboxylate
Article Data: 18
Molecular Structure:
Molecular Structure of 4651-81-4 (Methyl 2-aminothiophene-3-carboxylate)
Formula: C6H7NO2S
Molecular Weight: 157.193
Synonyms: 2-Amino-3-carbomethoxythiophene;2-Amino-3-methoxycarbonylthiophene;2-Amino-3-thiophenecarboxylic acid methylester;Methyl 2-amino-3-thiophenecarboxylate;NSC 523742;
EINECS: 225-084-8
Density: 1.32 g/cm3
Melting Point: 76-81 °C(lit.)
Boiling Point: 259.451 °C at 760 mmHg
Flash Point: 110.712 °C
Appearance: white to light yellow crystal powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 80.56000
LogP: 1.69810
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Chemistry

IUPAC Name: methyl 2-aminothiophene-3-carboxylate 
Empirical Formula: C6H7NO2S
Molecular Weight: 157.1903g/mol
EINECS: 225-084-8 
Structure of 3-Thiophenecarboxylicacid, 2-amino-, methyl ester (CAS NO.4651-81-4):

Index of Refraction: 1.598
Molar Refractivity: 40.64 cm3
Molar Volume: 119 cm3
Polarizability: 16.11×10-24cm3
Surface Tension: 52.8 dyne/cm
Density: 1.319 g/cm3
Flash Point: 110.7 °C
Enthalpy of Vaporization: 49.71 kJ/mol
Boiling Point: 259.5 °C at 760 mmHg
Vapour Pressure: 0.0129 mmHg at 25°C 
Chemical Properties: white to light yellow crystal powder 
Product Categories: Amino Acids and Derivatives;Heterocycles;Esters;Thiophenes & Benzothiophenes;Thiophene&Benzothiophene;Thiophene;Thiophenes & Benzothiophenes;Pharmaceutical intermediate;Building Blocks;Heterocyclic Building Blocks;Thiophenes 
Canonical SMILES: COC(=O)C1=C(SC=C1)N
InChI: InChI=1S/C6H7NO2S/c1-9-6(8)4-2-3-10-5(4)7/h2-3H,7H2,1H3
InChIKey: DGGJQLCAYQCPDD-UHFFFAOYSA-N

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
HazardClass: IRRITANT

Specification

  3-Thiophenecarboxylicacid, 2-amino-, methyl ester , its cas register number is 4651-81-4. It also can be called Methyl 2-amino-3-thenoate ; Methyl 2-aminothiophene-3-carboxylate . 3-Thiophenecarboxylicacid, 2-amino-, methyl ester (CAS NO.4651-81-4) is irritating to eyes, respiratory system and skin.