Benzonitrile,4-(2H-tetrazol-5-yl)- supplier

Name
4-(2H-TETRAZOL-5-YL)-BENZONITRILE
EINECS
CAS No. 14389-10-7
Article Data58
CAS DataBase
Density 1.44 g/cm³
Solubility
Melting Point 258-260 °C(Solv: water (7732-18-5); ethanol (64-17-5))
Formula C₈H₅N₅
Boiling Point 417.6 °C at 760 mmHg
Molecular Weight 171.161
Flash Point 137.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzonitrile,4-(1H-tetrazol-5-yl)- (9CI);Benzonitrile, p-1H-tetrazol-5-yl- (8CI);Benzonitrile, p-tetrazol-5-yl- (6CI,7CI);5-(4-Cyanophenyl)-1H-tetrazole;5-(4-Cyanophenyl)tetrazole;5-(p-Cyanophenyl)-1H-tetrazole;NSC 338082;
PSA 78.25000
LogP 0.73838

Benzonitrile,4-(2H-tetrazol-5-yl)- Specification

The Benzonitrile,4-(2H-tetrazol-5-yl)- is an organic compound with the molecular formula C₈H₅N₅. Its CAS registry number is 14389-10-7. The IUPAC name of this chemical is called 4-(2H-Tetrazol-5-yl)benzonitrile. What's more, the molecular weight of this chemical is 171.16.

Physical properties about Benzonitrile,4-(2H-tetrazol-5-yl)- are: (1)ACD/LogP: 1.30; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.53; (6)ACD/KOC (pH 7.4): 1.23; (7)#H bond acceptors: 5; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 67.39 Å²; (11)Index of Refraction: 1.651; (12)Molar Refractivity: 43.34 cm³; (13)Molar Volume: 118.6 cm³; (14)Polarizability: 17.18×10^-24 cm³; (15)Surface Tension: 97.9 dyne/cm; (16)Density: 1.44 g/cm³; (17)Flash Point: 137.6 °C; (18)Enthalpy of Vaporization: 67.1 kJ/mol; (19)Boiling Point: 417.6 °C at 760 mmHg; (20)Vapour Pressure: 3.49E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#Cc2ccc(c1nnnn1)cc2
(2) InChI: InChI=1/C8H5N5/c9-5-6-1-3-7(4-2-6)8-10-12-13-11-8/h1-4H,(H,10,11,12,13)
(3) InChIKey: KFSAVNQQBAZFIP-UHFFFAOYAE

Product Name

4-(2H-TETRAZOL-5-YL)-BENZONITRILE

Benzonitrile,4-(2H-tetrazol-5-yl)- Specification

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