4-Thiazolecarboxylicacid, 2-(4-fluorophenyl)- supplier

Name
2-(4-FLUORO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID
EINECS
CAS No. 863668-07-9
Article Data2
CAS DataBase
Density 1.447 g/cm³
Solubility
Melting Point
Formula C₁₀H₆FNO₂S
Boiling Point 412.3 °C at 760 mmHg
Molecular Weight 223.228
Flash Point 203.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Fluoro-phenyl)-thiazole-4-carboxylic acid;
PSA 78.43000
LogP 2.64740

4-Thiazolecarboxylicacid, 2-(4-fluorophenyl)- Specification

The 4-Thiazolecarboxylicacid, 2-(4-fluorophenyl)-, with the CAS registry number of 863668-07-9, is also known as 2-(4-Fluoro-phenyl)-thiazole-4-carboxylic acid. This chemical's molecular formula is C₁₀H₆FNO₂S and molecular weight is 223.22. What's more, its systematic name is called 2-(4-Fluorophenyl)-1, 3-thiazole-4-carboxylic acid.

Physical properties about 4-Thiazolecarboxylicacid, 2-(4-fluorophenyl)- are: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1.17; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.91; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.621; (14)Molar Refractivity: 54.24 cm³; (15)Molar Volume: 154.1 cm³; (16)Polarizability: 21.5×10^-24 cm³; (17)Surface Tension: 58.9 dyne/cm; (18)Density: 1.447 g/cm³; (19)Flash Point: 203.1 °C; (20)Enthalpy of Vaporization: 70.1 kJ/mol; (21)Boiling Point: 412.3 °C at 760 mmHg; (22)Vapour Pressure: 1.55E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc2ccc(c1nc(cs1)C(=O)O)cc2
(2) InChI: InChI=1/C10H6FNO2S/c11-7-3-1-6(2-4-7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14)
(3) InChIKey: VVZKBCLSODNUDS-UHFFFAOYAF

Product Name

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

4-Thiazolecarboxylicacid, 2-(4-fluorophenyl)- Specification

Related Products

Hot Products