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CAS No.: | 864068-80-4 |
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Name: | [3-(1H-PYRAZOL-1-YL)PHENYL]METHANOL |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H10N2O |
Molecular Weight: | 174.2 |
Synonyms: | (3-PYRAZOL-1-YL-PHENYL)-METHANOL;[3-(1H-PYRAZOL-1-YL)PHENYL]METHANOL;[3-(1H-Pyrazol-1-yl)phenyl]methanol 90%;benzenemethanol, 3-(1H-pyrazol-1-yl)-;3-(1H-Pyrazol-1-yl)benzyl alcohol 90% |
Density: | 1.16g/cm3 |
Boiling Point: | 338.9 °C at 760 mmHg |
Flash Point: | 158.7 °C |
PSA: | 38.05000 |
LogP: | 1.36460 |
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The Benzenemethanol,3-(1H-pyrazol-1-yl)-, with CAS registry number 864068-80-4, belongs to the following product categories: (1)Hydroxymethyl's; (2)Phenyls & Phenyl-Het. It has the systematic name of [3-(1H-pyrazol-1-yl)phenyl]methanol. And the chemical formula of this chemical is C10H10N2O.
Physical properties of Benzenemethanol,3-(1H-pyrazol-1-yl)-: (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: 158.7 °C; (14)Enthalpy of Vaporization: 61.46 kJ/mol; (15)Boiling Point: 338.9 °C at 760 mmHg; (16)Vapour Pressure: 3.71E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1cccn1c2cccc(c2)CO
(2)InChI: InChI=1/C10H10N2O/c13-8-9-3-1-4-10(7-9)12-6-2-5-11-12/h1-7,13H,8H2
(3)InChIKey: VINVOQJANISHSK-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H10N2O/c13-8-9-3-1-4-10(7-9)12-6-2-5-11-12/h1-7,13H,8H2
(5)Std. InChIKey: VINVOQJANISHSK-UHFFFAOYSA-N