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Dimethyl 4-aminothiophene-2,3-dicarboxylate

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Name

Dimethyl 4-aminothiophene-2,3-dicarboxylate

EINECS N/A
CAS No. 62947-31-3 Density 1.371 g/cm3
PSA 106.86000 LogP 1.48470
Solubility N/A Melting Point N/A
Formula C8H9NO4S Boiling Point 350.5 °C at 760 mmHg
Molecular Weight 215.23 Flash Point Flash Point: 165.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 62947-31-3 (Dimethyl 4-aminothiophene-2,3-dicarboxylate) Hazard Symbols IrritantXi
Synonyms

2,3-Thiophenedicarboxylicacid, 4-amino-, dimethyl ester (9CI);4-Aminothiophene-2,3-dicarboxylic aciddimethyl ester;Dimethyl 4-amino-2,3-thiophenedicarboxylate;

Article Data 2

Dimethyl 4-aminothiophene-2,3-dicarboxylate Specification

The Dimethyl 4-aminothiophene-2,3-dicarboxylate, with the CAS registry number 62947-31-3, is also known as 4-Amino-thiophene-2,3-dicarboxylic acid dimethyl ester. This chemical's molecular formula is C8H9NO4S and molecular weight is 215.23. What's more, both its IUPAC name and systematic name are the same which is called Dimethyl 4-aminothiophene-2,3-dicarboxylate.

Physical properties about this chemical are: (1) ACD/LogP: 1.15; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.15; (4) ACD/LogD (pH 7.4): 1.15; (5) ACD/BCF (pH 5.5): 4.38; (6) ACD/BCF (pH 7.4): 4.38; (7) ACD/KOC (pH 5.5): 100.18; (8) ACD/KOC (pH 7.4): 100.18; (9) #H bond acceptors: 5; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 5; (12) Polar Surface Area: 84.08 Å2; (13) Index of Refraction: 1.582; (14) Molar Refractivity: 52.41 cm3; (15) Molar Volume: 156.9 cm3; (16) Surface Tension: 54.2 dyne/cm; (17) Density: 1.371 g/cm3; (18) Flash Point: 165.8 °C; (19) Enthalpy of Vaporization: 59.51 kJ/mol; (20) Boiling Point: 350.5 °C at 760 mmHg; (21) Vapour Pressure: 4.37E-05 mmHg at 25 °C.

When you are dealing with Dimethyl 4-aminothiophene-2,3-dicarboxylate, you should be very careful. This chemical is irritating and may cause inflammation to the skin or other mucous membranes. Therefore, you should be cautious about it when you are using this chemical.

You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)C1=C(SC=C1N)C(=O)OC
(2) InChI: InChI=1S/C8H9NO4S/c1-12-7(10)5-4(9)3-14-6(5)8(11)13-2/h3H,9H2,1-2H3
(3) InChIKey: XQPDCUCAKYNVAO-UHFFFAOYSA-N

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