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

Name
2-(4-CHLOROPHENYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID
EINECS
CAS No. 17228-98-7
Article Data7
CAS DataBase
Density 1.48 g/cm³
Solubility
Melting Point 187-190 °C
Formula C₁₀H₆ClNO₂S
Boiling Point 441.9 °C at 760 mmHg
Molecular Weight 239.682
Flash Point 221 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Thiazolecarboxylicacid, 2-(p-chlorophenyl)- (8CI);2-(4-Chlorophenyl)thiazol-4-carboxylic acid;2-(4-Chlorophenyl)thiazole-4-carboxylic acid;2-(p-Chlorophenyl)-4-thiazolecarboxylic acid;
PSA 78.43000
LogP 3.16170

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

The 4-Thiazolecarboxylicacid, 2-(4-chlorophenyl)- is the organic compound with the formula C₁₀H₆ClNO₂S. With the CAS registry number 17228-98-7, its IUPAC name is 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylic acid.

Physical properties of 4-Thiazolecarboxylicacid, 2-(4-chlorophenyl)-: (1)ACD/LogP: 3.68; (2)ACD/LogD (pH 5.5): 1.57; (3)ACD/LogD (pH 7.4): 0.58; (4)ACD/BCF (pH 5.5): 2.83; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 18.38; (7)ACD/KOC (pH 7.4): 1.91; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.651; (12)Molar Refractivity: 59.14 cm³; (13)Molar Volume: 161.9 cm³; (14)Surface Tension: 62.8 dyne/cm; (15)Density: 1.48 g/cm³; (16)Flash Point: 221 °C; (17)Enthalpy of Vaporization: 73.69 kJ/mol; (18)Boiling Point: 441.9 °C at 760 mmHg; (19)Vapour Pressure: 1.38E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C2=NC(=CS2)C(=O)O)Cl
(2)InChI: InChI=1S/C10H6ClNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
(3)InChIKey: OOINMGFADWPJPC-UHFFFAOYSA-N

Product Name

2-(4-CHLOROPHENYL)-1,3-THIAZOLE-4-CARBOXYLIC ACID

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

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