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119192-11-9

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Basic Information
CAS No.: 119192-11-9
Name: 1-(4-HYDROXY-BENZYL)-1,2,4-TRIAZOLE
Article Data: 2
Molecular Structure:
Molecular Structure of 119192-11-9 (1-(4-HYDROXY-BENZYL)-1,2,4-TRIAZOLE)
Formula: C9H9N3O
Molecular Weight: 175.19
Synonyms: 4-[([1,2,4]Triazol-1-yl)methyl]phenol;STX 269;1-(4-Hydroxy-benzyl)-1,2,4-triazole;4-(1H-1,2,4-Triazol-1-ylmethyl)phenol;
Density: 1.27 g/cm3
Boiling Point: 405.2 °C at 760 mmHg
Flash Point: 198.8 °C
PSA: 50.94000
LogP: 1.03200
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    Zibo Hangyu Biotechnology Development Co., Ltd is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemi

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Specification

The Phenol,4-(1H-1,2,4-triazol-1-ylmethyl)-, with the CAS registry number 119192-11-9, is also known as 1-(4-Hydroxy-benzyl)-1,2,4-triazole. This chemical's molecular formula is C9H9N3O and molecular weight is 175.19. What's more, its systematic name is 4-(1H-1,2,4-Triazol-1-ylmethyl)phenol.

Physical properties of Phenol,4-(1H-1,2,4-triazol-1-ylmethyl)- are: (1)ACD/LogP: 0.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.38; (4)ACD/LogD (pH 7.4): 0.38; (5)ACD/BCF (pH 5.5): 1.14; (6)ACD/BCF (pH 7.4): 1.13; (7)ACD/KOC (pH 5.5): 38.06; (8)ACD/KOC (pH 7.4): 38.05; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 39.94 Å2; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 49.83 cm3; (15)Molar Volume: 137.8 cm3; (16)Polarizability: 19.75×10-24 cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 198.8 °C; (20)Enthalpy of Vaporization: 68.23 kJ/mol; (21)Boiling Point: 405.2 °C at 760 mmHg; (22)Vapour Pressure: 3.82E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cnn(c1)Cc2ccc(O)cc2
(2)InChI: InChI=1/C9H9N3O/c13-9-3-1-8(2-4-9)5-12-7-10-6-11-12/h1-4,6-7,13H,5H2
(3)InChIKey: DHGHMNOUPYIXRU-UHFFFAOYSA-N