Methyl 3-amino-4-phenylthiophene-2-carboxylate supplier

Name
Methyl 3-amino-4-phenylthiophene-2-carboxylate
EINECS
CAS No. 82437-64-7
Article Data8
CAS DataBase
Density 1.265 g/cm³
Solubility
Melting Point 69 °C
Formula C₁₂H₁₁NO₂S
Boiling Point 381.6 °C at 760 mmHg
Molecular Weight 233.291
Flash Point 184.6 °C
Transport Information
Appearance
Safety 24/25
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Methyl3-amino-4-phenylthiophene-2-carboxylate;
PSA 80.56000
LogP 3.36510

Methyl 3-amino-4-phenylthiophene-2-carboxylate Specification

The Methyl 3-amino-4-phenylthiophene-2-carboxylate with its cas register number is 82437-64-7. It also can be called as 3-Amino-4-phenyl-2-thiophenecarboxylic acid methyl ester and the Systematic name about this chemical is methyl 3-amino-4-phenylthiophene-2-carboxylate.

Physical properties about Methyl 3-amino-4-phenylthiophene-2-carboxylate are: (1)ACD/LogP: 3.66; (2)ACD/LogD (pH 5.5): 3.66; (3)ACD/LogD (pH 7.4): 3.66; (4)ACD/BCF (pH 5.5): 356.98; (5)ACD/BCF (pH 7.4): 356.99; (6)ACD/KOC (pH 5.5): 2337.66; (7)ACD/KOC (pH 7.4): 2337.75; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 57.78Å²; (12)Index of Refraction: 1.625; (13)Molar Refractivity: 65.23 cm³; (14)Molar Volume: 184.3 cm³; (15)Polarizability: 25.86x10^-24cm³; (16)Surface Tension: 51.7 dyne/cm; (17)Enthalpy of Vaporization: 62.99 kJ/mol; (18)Vapour Pressure: 5.02E-06 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c2scc(c1ccccc1)c2N
(2)InChI: InChI=1/C12H11NO2S/c1-15-12(14)11-10(13)9(7-16-11)8-5-3-2-4-6-8/h2-7H,13H2,1H3
(3)InChIKey: UKWKMKNACSKDCN-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C12H11NO2S/c1-15-12(14)11-10(13)9(7-16-11)8-5-3-2-4-6-8/h2-7H,13H2,1H3
(5)Std. InChIKey: UKWKMKNACSKDCN-UHFFFAOYSA-N

Product Name

Methyl 3-amino-4-phenylthiophene-2-carboxylate

Methyl 3-amino-4-phenylthiophene-2-carboxylate Specification

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