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26974-15-2

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Basic Information
CAS No.: 26974-15-2
Name: 3-(TRIFLUOROMETHYL)-5-P-TOLYL-1H-PYRAZOLE
Article Data: 13
Molecular Structure:
Molecular Structure of 26974-15-2 (3-(TRIFLUOROMETHYL)-5-P-TOLYL-1H-PYRAZOLE)
Formula: C11H9F3N2
Molecular Weight: 226.201
Synonyms: 5-(Trifluoromethyl)-3-p-tolyl-1H-pyrazole;
Density: 1.284 g/cm3
Boiling Point: 344.2 °C at 760 mmHg
Flash Point: 162 °C
PSA: 28.68000
LogP: 3.40390
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Specification

The CAS registry number of 1H-Pyrazole,3-(4-methylphenyl)-5-(trifluoromethyl)- is 26974-15-2. The IUPAC name is 3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole. In addition, the molecular formula is C11H9F3N2 and the molecular weight is 226.20. It should be stored in a cool and dry place.

Physical properties about 1H-Pyrazole,3-(4-methylphenyl)-5-(trifluoromethyl)- are: (1)ACD/LogP: 3.59; (2)ACD/LogD (pH 5.5): 3.59; (3)ACD/LogD (pH 7.4): 3.59; (4)ACD/BCF (pH 5.5): 315.31; (5)ACD/BCF (pH 7.4): 314.67; (6)ACD/KOC (pH 5.5): 2138.93; (7)ACD/KOC (pH 7.4): 2134.57; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.82 Å2; (12)Index of Refraction: 1.515; (13)Molar Refractivity: 53.17 cm3; (14)Molar Volume: 176 cm3; (15)Polarizability: 21.07 ×10-24cm3; (16)Surface Tension: 35.3 dyne/cm; (17)Density: 1.284 g/cm3; (18)Flash Point: 162 °C; (19)Enthalpy of Vaporization: 56.49 kJ/mol; (20)Boiling Point: 344.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000133 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(nn1)c2ccc(cc2)C
(2)InChI: InChI=1/C11H9F3N2/c1-7-2-4-8(5-3-7)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16)
(3)InChIKey: NQEFIPVOJGJVRG-UHFFFAOYAJ