2-Thiophenecarboxylicacid, 4-amino-, hydrochloride (1:1) supplier

Name
2-Thiophenecarboxylic acid, 4-amino-, hydrochloride
EINECS
CAS No. 89499-33-2
Density
Solubility
Melting Point 255-258 °C
Formula C₅H₆ClNO₂S
Boiling Point 435.8 °C at 760 mmHg
Molecular Weight 179.62464
Flash Point 217.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Thiophenecarboxylicacid, 4-amino-, hydrochloride (9CI);
PSA 91.56000
LogP 2.41170

2-Thiophenecarboxylicacid, 4-amino-, hydrochloride (1:1) Specification

The 2-Thiophenecarboxylicacid, 4-amino-, hydrochloride (1:1), with CAS registry number 89499-33-2, has the systematic name of 4-aminothiophene-2-carboxylic acid hydrochloride. Its molecular weight is 179.62464. And the chemical formula of this chemical is C₅H₆ClNO₂S.

Physical properties of 2-Thiophenecarboxylicacid, 4-amino-, hydrochloride (1:1): (1)ACD/LogP: 0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.88; (4)ACD/LogD (pH 7.4): -2.41; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.92; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.78 Å²; (13)Flash Point: 217.4 °C; (14)Enthalpy of Vaporization: 72.95 kJ/mol; (15)Boiling Point: 435.8 °C at 760 mmHg; (16)Vapour Pressure: 2.3E-08 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-acetylamino-thiophene-2-carboxylic acid methyl ester. This reaction will need reagent conc. HCl by heating. The yield is about 78%.

2-Thiophenecarboxylicacid, 4-amino-, hydrochloride (11) can be prepared by 4-acetylamino-thiophene-2-carboxylic acid methyl ester.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1scc(N)c1.Cl
(2)InChI: InChI=1/C5H5NO2S.ClH/c6-3-1-4(5(7)8)9-2-3;/h1-2H,6H2,(H,7,8);1H
(3)InChIKey: BBBINYOGUKHQRM-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H5NO2S.ClH/c6-3-1-4(5(7)8)9-2-3;/h1-2H,6H2,(H,7,8);1H
(5)Std. InChIKey: BBBINYOGUKHQRM-UHFFFAOYSA-N

Product Name

2-Thiophenecarboxylic acid, 4-amino-, hydrochloride

2-Thiophenecarboxylicacid, 4-amino-, hydrochloride (1:1) Specification

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