4-(Trifluoromethyl)thiazole-2-carboxylic acid supplier

Name
4-(Trifluoromethyl)thiazole-2-carboxylic acid
EINECS
CAS No. 944900-55-4
Density 1.668 g/cm³
Solubility
Melting Point
Formula C₅H₂F₃NO₂S
Boiling Point 294.305 °C at 760 mmHg
Molecular Weight 197.14
Flash Point 131.791 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Thiazolecarboxylic acid, 4-(trifluoromethyl)-;
PSA 78.43000
LogP 1.86010

4-(Trifluoromethyl)thiazole-2-carboxylic acid Specification

The 4-(Trifluoromethyl)thiazole-2-carboxylic acid with the cas number 944900-55-4 is also called 2-Thiazolecarboxylic acid, 4-(trifluoromethyl)-. Both the systematic name and IUPAC name are 4-(trifluoromethyl)-1,3-thiazole-2-carboxylic acid. Its molecular formula is C₅H₂F₃NO₂S.

The properties of the chemical are: (1)ACD/LogP: 0.83; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 78.43 Å²; (11)Index of Refraction: 1.498; (12)Molar Refractivity: 34.638 cm³; (13)Molar Volume: 118.177 cm³; (14)Polarizability: 13.732×10^-24cm³; (15)Surface Tension: 43.741 dyne/cm; (16)Enthalpy of Vaporization: 56.387 kJ/mol; (17)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(nc(s1)C(=O)O)C(F)(F)F
(2)InChI: InChI=1/C5H2F3NO2S/c6-5(7,8)2-1-12-3(9-2)4(10)11/h1H,(H,10,11)
(3)InChIKey: UJIAFLBUSAICKJ-UHFFFAOYAO

Product Name

4-(Trifluoromethyl)thiazole-2-carboxylic acid

4-(Trifluoromethyl)thiazole-2-carboxylic acid Specification

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