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| CAS No.: | 70817-26-4 |
|---|---|
| Name: | (1-Phenyl-1H-pyrazol-4-yl)methanol |
| Molecular Structure: | |
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| Formula: | C10H10N2O |
| Molecular Weight: | 174.202 |
| Synonyms: | Pyrazole-4-methanol,1-phenyl- (6CI);(1-Phenyl-1H-pyrazol-4-yl)methanol; |
| Density: | 1.16 g/cm3 |
| Melting Point: | 110-111 °C(Solv: water (7732-18-5)) |
| Boiling Point: | 332.3 °C at 760 mmHg |
| Flash Point: | 154.8 °C |
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Specification
The (1-Phenyl-1H-pyrazol-4-yl)methanol, with the cas registry number 70817-26-4, has the IUPAC name of (1-phenylpyrazol-4-yl)methanol. And the molecular formula of the chemical is C10H10N2O.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.93; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 27.05 Å2; (7)Index of Refraction: 1.604; (8)Molar Refractivity: 51.39 cm3; (9)Molar Volume: 149.2 cm3; (10)Polarizability: 20.37×10-24cm3; (11)Surface Tension: 46.7 dyne/cm; (12)Density: 1.16 g/cm3; (13)Flash Point: 154.8 °C; (14)Enthalpy of Vaporization: 60.7 kJ/mol; (15)Boiling Point: 332.3 °C at 760 mmHg; (16)Vapour Pressure: 5.86E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: n1cc(cn1c2ccccc2)CO
(2)InChI: InChI=1/C10H10N2O/c13-8-9-6-11-12(7-9)10-4-2-1-3-5-10/h1-7,13H,8H2
(3)InChIKey: UCPVQFRIXFGLOJ-UHFFFAOYAD