2-(Trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester supplier

Name
ETHYL 2-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE
EINECS
CAS No. 131748-96-4
Article Data1
CAS DataBase
Density 1.407 g/cm³
Solubility
Melting Point
Formula C₇H₆F₃NO₂S
Boiling Point 194.801 °C at 760 mmHg
Molecular Weight 225.19
Flash Point 71.613 °C
Transport Information
Appearance
Safety 26-36/37
Risk Codes 22-36/37/38-43
Molecular Structure
Hazard Symbols Xn
Synonyms 5-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester;Ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PSA 67.43000
LogP 2.33860

2-(Trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester Specification

The 2-Trifluoromethylthiazole-5-carboxylic acid ethyl ester, with the CAS registry number of 131748-96-4, is also known as 2-(Trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester. Its molecular formula is C₇H₆F₃NO₂S and molecular weight is 225.1882496. What's more, its systematic name is Ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Physical properties about the 2-Trifluoromethylthiazole-5-carboxylic acid ethyl ester are: (1)ACD/LogP: 2.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 32; (6)ACD/BCF (pH 7.4): 32; (7)ACD/KOC (pH 5.5): 413; (8)ACD/KOC (pH 7.4): 413; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.43 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 44.114 cm³; (15)Molar Volume: 160.047 cm³; (16)Surface Tension: 33.983 dyne/cm; (17)Density: 1.407 g/cm³; (18)Flash Point: 71.613 °C; (19)Enthalpy of Vaporization: 43.1 kJ/mol; (20)Boiling Point: 194.801 °C at 760 mmHg; (21)Vapour Pressure: 0.433 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1cnc(s1)C(F)(F)F
(2) InChI: InChI=1/C7H6F3NO2S/c1-2-13-5(12)4-3-11-6(14-4)7(8,9)10/h3H,2H2,1H3
(3) InChIKey: KQTWGECEHUVSPX-UHFFFAOYAI

Product Name

ETHYL 2-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLATE

2-(Trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester Specification

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