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4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylic acid

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Name

4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylic acid

EINECS 200-589-5
CAS No. 144059-86-9 Density 1.438 g/cm3
PSA 78.43000 LogP 3.83550
Solubility N/A Melting Point 237-238 °C
Formula C12H8F3NO2S Boiling Point 413.2 °C at 760 mmHg
Molecular Weight 287.262 Flash Point 203.7 °C
Transport Information N/A Appearance N/A
Safety 37/39-26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 144059-86-9 (4-METHYL-2-[4-(TRIFLUOROMETHYL)PHENYL]THIAZOLE-5-CARBOXYLIC ACID) Hazard Symbols IrritantXi
Synonyms

4-Methyl-2-(4-trifluoromethylphenyl)thiazole-5-carboxylicacid;4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid;

Article Data 8

4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylic acid Specification

The 4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazole-5-carboxylic acid, with the cas registry number 144059-86-9, is also called T5N CSJ BR DXFFF& DVQ E1. And the molecular formula of the chemical is C12H8F3NO2S.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.62; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 2.2; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 10.25; (8)ACD/KOC (pH 7.4): 3.98; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.554; (14)Molar Refractivity: 64.05 cm3; (15)Molar Volume: 199.7 cm3; (16)Polarizability: 25.39×10-24cm3; (17)Surface Tension: 44.1 dyne/cm; (18)Density: 1.438 g/cm3; (19)Flash Point: 203.7 °C; (20)Enthalpy of Vaporization: 70.21 kJ/mol; (21)Boiling Point: 413.2 °C at 760 mmHg; (22)Vapour Pressure: 1.44E-07 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c2ccc(c1nc(c(s1)C(=O)O)C)cc2
(2)InChI: InChI=1/C12H8F3NO2S/c1-6-9(11(17)18)19-10(16-6)7-2-4-8(5-3-7)12(13,14)15/h2-5H,1H3,(H,17,18)
(3)InChIKey: DRFFZMPSUPHSJN-UHFFFAOYAF

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