2-(4-Bromophenyl)-1,3-thiazole-4-carboxylic acid supplier

Name
2-(4-BROMO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID
EINECS
CAS No. 21160-50-9
Article Data3
CAS DataBase
Density 1.71 g/cm³
Solubility
Melting Point
Formula C₁₀H₆BrNO₂S
Boiling Point 457.945 °C at 760 mmHg
Molecular Weight 284.133
Flash Point 230.757 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Thiazolecarboxylicacid, 2-(p-bromophenyl)- (8CI);2-(4-Bromophenyl)-1,3-thiazole-4-carboxylic acid;
PSA 78.43000
LogP 3.27080

2-(4-Bromophenyl)-1,3-thiazole-4-carboxylic acid Specification

The CAS register number of 2-(4-Bromophenyl)-1,3-thiazole-4-carboxylic acid is 21160-50-9. It also can be called as 4-Thiazolecarboxylicacid, 2-(4-bromophenyl)- and the systematic name about this chemical is 2-(4-bromophenyl)thiazole-4-carboxylic acid.

Physical properties about 2-(4-Bromophenyl)-1,3-thiazole-4-carboxylic acid are: (1)ACD/LogP: 3.84; (2)ACD/LogD (pH 5.5): 1.924; (3)ACD/LogD (pH 7.4): 0.775; (4)ACD/BCF (pH 5.5): 5.901; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 35.287; (7)ACD/KOC (pH 7.4): 2.504; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 78.43Å²; (12)Index of Refraction: 1.668; (13)Molar Refractivity: 61.941 cm³; (14)Molar Volume: 166.136 cm³; (15)Polarizability: 24.555x10^-24cm³; (16)Surface Tension: 64.36 dyne/cm; (17)Enthalpy of Vaporization: 75.673 kJ/mol; (18)Boiling Point: 457.945 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1c2nc(cs2)C(=O)O)Br
(2)InChI: InChI=1/C10H6BrNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
(3)InChIKey: FSXGZVXOAJEGDR-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H6BrNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
(5)Std. InChIKey: FSXGZVXOAJEGDR-UHFFFAOYSA-N

Product Name

2-(4-BROMO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID

2-(4-Bromophenyl)-1,3-thiazole-4-carboxylic acid Specification

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