CAS No.96145-98-1,2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	96145-98-1
Name:	2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol
Article Data:	18

Formula:	C₁₀H₇F₃N₂O
Molecular Weight:	228.174
Synonyms:	1-Phenyl-3-trifluoromethyl-1H-pyrazol-5-ol;1-Phenyl-3-trifluoromethyl-5-hydroxypyrazole;5-Hydroxy-1-phenyl-3-trifluoromethylpyrazole;
Density:	1.39 g/cm³
Boiling Point:	318.4 °C at 760mmHg
Flash Point:	146.4 °C
PSA:	38.05000
LogP:	2.59670

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Specification

The 2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol is an organic compound with the formula C₁₀H₇F₃N₂O. The systematic name of this chemical is 1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-ol. With the CAS registry number 96145-98-1, it is also named as 2,4-Dihydro-2-phenyl-5-(trifluoromethyl)-3H-pyrazol-3-one. The product's category is Heterocyclic Compounds.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 85; (6)ACD/BCF (pH 7.4): 60; (7)ACD/KOC (pH 5.5): 839; (8)ACD/KOC (pH 7.4): 585; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.05 Å²; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 51.537 cm³; (15)Molar Volume: 163.453 cm³; (16)Polarizability: 20.431×10^-24 cm³; (17)Surface Tension: 37.995 dyne/cm; (18)Density: 1.396 g/cm³; (19)Flash Point: 146.353 °C; (20)Enthalpy of Vaporization: 58.217 kJ/mol; (21)Boiling Point: 318.383 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)c1cc(O)n(n1)c2ccccc2
2. InChI:InChI=1/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-6,16H
3. InChIKey:CGMKIOXMUMZDAP-UHFFFAOYAF
4. Std. InChI:InChI=1S/C10H7F3N2O/c11-10(12,13)8-6-9(16)15(14-8)7-4-2-1-3-5-7/h1-6,16H
5. Std. InChIKey:CGMKIOXMUMZDAP-UHFFFAOYSA-N