Phenol,2-(2H-tetrazol-5-yl)- supplier

Name
5-(2-HYDROXYPHENYL)-1H-TETRAZOLE
EINECS
CAS No. 51449-77-5
Article Data74
CAS DataBase
Density 1.458 g/cm³
Solubility
Melting Point 230°C
Formula C₇H₆N₄O
Boiling Point 391.8 °C at 760 mmHg
Molecular Weight 162.151
Flash Point 190.8 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 2-(1H-Tetrazol-5-yl)phenol;2-(2H-1,2,3,4-Tetrazol-5-yl)phenol;5-(2-Hydroxyphenyl)-2H-tetrazole;5-(2-Hydroxyphenyl)tetrazole;5-(o-Hydroxyphenyl)tetrazole;Phenol, o-tetrazol-5-yl- (6CI);Phenol,2-(1H-tetrazol-5-yl)- (9CI);
PSA 74.69000
LogP 0.57230

Phenol,2-(2H-tetrazol-5-yl)- Specification

The Phenol,2-(2H-tetrazol-5-yl)-, with CAS registry number 51449-77-5, has the systematic name of 2-(2H-tetrazol-5-yl)phenol. Besides this, it is also called 1-Phenyl-5-hydroxytetrazole. And the chemical formula of this chemical is C₇H₆N₄O.

Physical properties of Phenol,2-(2H-tetrazol-5-yl)-: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 74.69 Å²; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 41.433 cm³; (15)Molar Volume: 111.142 cm³; (16)Polarizability: 16.425×10^-24cm³; (17)Surface Tension: 85.227 dyne/cm; (18)Density: 1.459 g/cm³; (19)Flash Point: 190.765 °C; (20)Enthalpy of Vaporization: 66.654 kJ/mol; (21)Boiling Point: 391.819 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccccc1c2nnnn2
(2)InChI: InChI=1/C7H6N4O/c12-6-4-2-1-3-5(6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
(3)InChIKey: FPUQYVARGFDCGZ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C7H6N4O/c12-6-4-2-1-3-5(6)7-8-10-11-9-7/h1-4,12H,(H,8,9,10,11)
(5)Std. InChIKey: FPUQYVARGFDCGZ-UHFFFAOYSA-N

Product Name

5-(2-HYDROXYPHENYL)-1H-TETRAZOLE

Phenol,2-(2H-tetrazol-5-yl)- Specification

Related Products

Hot Products