1H-Tetrazole, 1-phenyl- supplier

Name
5-PHENYL-1H-TETRAZOLE
EINECS
CAS No. 5378-52-9
Article Data61
CAS DataBase
Density 1.29 g/cm³
Solubility
Melting Point 66 °C
Formula C₇H₆N₄
Boiling Point 288.7 °C at 760 mmHg
Molecular Weight 146.151
Flash Point 128.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Phenyl-1H-tetrazole;1-Phenyltetrazole;
PSA 43.60000
LogP 0.66230

1H-Tetrazole, 1-phenyl- Specification

This chemical is called 1H-Tetrazole, 1-phenyl-, and its systematic name is 1-phenyl-1H-tetrazole. With the molecular formula of C₇H₆N₄, its molecular weight is 146.15. The CAS registry number of this chemical is 5378-52-9.

Other characteristics of the 1H-Tetrazole, 1-phenyl- can be summarised as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.97; (6)ACD/BCF (pH 7.4): 3.97; (7)ACD/KOC (pH 5.5): 93.32; (8)ACD/KOC (pH 7.4): 93.32; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å²; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 42.82 cm³; (15)Molar Volume: 113 cm³; (16)Polarizability: 16.97×10^-24cm³; (17)Surface Tension: 55.4 dyne/cm; (18)Density: 1.29 g/cm³; (19)Flash Point: 128.4 °C; (20)Enthalpy of Vaporization: 52.79 kJ/mol; (21)Boiling Point: 288.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00231 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n2nnn(c1ccccc1)c2
2.InChI: InChI=1/C7H6N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h1-6H
3.InChIKey: IYPXPGSELZFFMI-UHFFFAOYAI

Product Name

5-PHENYL-1H-TETRAZOLE

1H-Tetrazole, 1-phenyl- Specification

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