Benzoic acid,2-(2-phenyl-4-thiazolyl)- supplier

Name
2-(2-PHENYL-1,3-THIAZOL-4-YL)BENZENECARBOXYLIC ACID
EINECS
CAS No. 60510-56-7
Article Data1
CAS DataBase
Density 1.307 g/cm³
Solubility
Melting Point 162-164 °C
Formula C₁₆H₁₁NO₂S
Boiling Point 484.1 °C at 760 mmHg
Molecular Weight 281.335
Flash Point 246.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(2-Phenylthiazol-4-yl)benzoic acid;
PSA 78.43000
LogP 4.17530

Benzoic acid,2-(2-phenyl-4-thiazolyl)- Specification

The Benzoic acid,2-(2-phenyl-4-thiazolyl)-, with the CAS registry number 60510-56-7, is also known as 2-(2-Phenylthiazol-4-yl)benzoic acid. This chemical's molecular formula is C₁₆H₁₁NO₂S and molecular weight is 281.33. What's more, its systematic name is called 2-(2-Phenyl-1,3-thiazol-4-yl)benzoic acid.

Physical properties about Benzoic acid,2-(2-phenyl-4-thiazolyl)- are: (1)ACD/LogP: 4.02; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 6.66; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 36.56; (8)ACD/KOC (pH 7.4): 3.02; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 78.84 cm³; (15)Molar Volume: 215.2 cm³; (16)Polarizability: 31.25×10^-24 cm³; (17)Surface Tension: 57.7 dyne/cm; (18)Density: 1.307 g/cm³; (19)Flash Point: 246.6 °C; (20)Enthalpy of Vaporization: 78.93 kJ/mol; (21)Boiling Point: 484.1 °C at 760 mmHg; (22)Vapour Pressure: 3.49E-10 mmHg at 25 °C; (23)Melting Point: 162-164 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c3ccccc3c1nc(sc1)c2ccccc2
(2) InChI: InChI=1/C16H11NO2S/c18-16(19)13-9-5-4-8-12(13)14-10-20-15(17-14)11-6-2-1-3-7-11/h1-10H,(H,18,19)
(3) InChIKey: KJTDLBFUDMTJMD-UHFFFAOYAV

Product Name

2-(2-PHENYL-1,3-THIAZOL-4-YL)BENZENECARBOXYLIC ACID

Benzoic acid,2-(2-phenyl-4-thiazolyl)- Specification

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