5-Thiazolecarboxylicacid, 2-methyl-4-(trifluoromethyl)- supplier

Name
2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID
EINECS 809-864-0
CAS No. 117724-63-7
Article Data9
CAS DataBase
Density 1.57 g/cm³
Solubility
Melting Point 186～187℃
Formula C₆H₄F₃NO₂S
Boiling Point 285.5 °C at 760 mmHg
Molecular Weight 211.164
Flash Point 126.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylicacid;2-Methyl-4-trifluoromethylthiazole-5-carboxylic acid;2-Methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid;2-Methyl-4-(trifluoromethyl)thiazole-5-carboxylic Acid;
PSA 78.43000
LogP 2.16850

5-Thiazolecarboxylicacid, 2-methyl-4-(trifluoromethyl)- Specification

The 5-Thiazolecarboxylicacid, 2-methyl-4-(trifluoromethyl)-, with the CAS registry number 117724-63-7, is also known as 2-Methyl-4-trifluoromethylthiazole-5-carboxylic acid. It belongs to the product categories of Building Blocks; Thiazole. This chemical's molecular formula is C₆H₄F₃NO₂S and molecular weight is 211.16. What's more, its systematic name is 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid.

Physical properties of 5-Thiazolecarboxylicacid, 2-methyl-4-(trifluoromethyl)- are: (1)ACD/LogP: 1.75; (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: 67.43 Å²; (11)Index of Refraction: 1.498; (12)Molar Refractivity: 39.46 cm³; (13)Molar Volume: 134.4 cm³; (14)Polarizability: 15.64×10^-24 cm³; (15)Surface Tension: 41.6 dyne/cm; (16)Density: 1.57 g/cm³; (17)Flash Point: 126.5 °C; (18)Enthalpy of Vaporization: 55.41 kJ/mol; (19)Boiling Point: 285.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0013 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1nc(sc1C(=O)O)C
(2)InChI: InChI=1/C₆H₄F₃NO₂S/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12)
(3)InChIKey: REKJPVUFKQYMHW-UHFFFAOYAT

Product Name

2-METHYL-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLIC ACID

5-Thiazolecarboxylicacid, 2-methyl-4-(trifluoromethyl)- Specification

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