Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Hydroxy-1-phenyl-3-(trifluoromethyl)-1H-pyrazole |
EINECS | N/A |
CAS No. | 96145-98-1 | Density | 1.39 g/cm3 |
PSA | 38.05000 | LogP | 2.59670 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H7F3N2O | Boiling Point | 318.4 °C at 760mmHg |
Molecular Weight | 228.174 | Flash Point | 146.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Phenyl-3-trifluoromethyl-1H-pyrazol-5-ol;1-Phenyl-3-trifluoromethyl-5-hydroxypyrazole;5-Hydroxy-1-phenyl-3-trifluoromethylpyrazole; |
Article Data | 18 |
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