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Basic Information
CAS No.: 7113-10-2
Name: 2-PHENYL-1,3-THIAZOLE-4-CARBOXYLIC ACID
Article Data: 22
Molecular Structure:
Molecular Structure of 7113-10-2 (2-PHENYL-1,3-THIAZOLE-4-CARBOXYLIC ACID)
Formula: C10H7 N O2 S
Molecular Weight: 205.237
Synonyms: 2-Phenyl-1,3-thiazole-4-carboxylicacid; 2-Phenyl-4-thiazolecarboxylic acid
Density: 1.368 g/cm3
Melting Point: 175-177°C
Boiling Point: 420.5 °C at 760 mmHg
Flash Point: 208.1 °C
Appearance: cream solid.
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 78.43000
LogP: 2.50830
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  • 2-Phenylthiazole-4-carboxylic acid

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    7113-10-2

    2-Phenylthiazole-4-carboxylic acid

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    2-Phenylthiazole-4-carboxylic acid

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  • 2-Phenyl-1,3-thiazole-4-carboxylic acid

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    7113-10-2

    2-Phenyl-1,3-thiazole-4-carboxylic acid

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Chemistry

Molecular Structure of 2-Phenyl-4-carboxythiazole (CAS NO.7113-10-2):

IUPAC Name: 2-phenyl-1,3-thiazole-4-carboxylic acid 
Empirical Formula: C10H7NO2S
Molecular Weight: 205.2331
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 67.43 Å2
Index of Refraction: 1.643
Molar Refractivity: 54.25 cm3
Molar Volume: 149.9 cm3
Surface Tension: 61.5 dyne/cm
Density: 1.368 g/cm3
Flash Point: 208.1 °C
Enthalpy of Vaporization: 71.09 kJ/mol
Boiling Point: 420.5 °C at 760 mmHg
Vapour Pressure: 8.04E-08 mmHg at 25°C
Melting point: 175-177°C
InChI
InChI=1/C10H7NO2S/c12-10(13)8-6-14-9(11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
Smiles
c1(nc(c2ccccc2)sc1)C(=O)O

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Irritant
HazardClass: Irritant

Specification

  2-Phenyl-4-carboxythiazole , with CAS number of 7113-10-2, can be called 2-Phenylthiazole-4-carboxylic acid ; 2-Phenyl-1,3-thiadiazole-4-carboxylic acid ; 2-Phenylthiazole-4-carboxylic acid ,97% .