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5-(2-Iodophenyl)-1H-tetrazole

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Name

5-(2-Iodophenyl)-1H-tetrazole

EINECS N/A
CAS No. 73096-40-9 Density 2.018g/cm3
PSA 54.46000 LogP 1.47130
Solubility N/A Melting Point N/A
Formula C7H5 I N4 Boiling Point 403.187°C at 760 mmHg
Molecular Weight 272.048 Flash Point 197.64°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 73096-40-9 (5-(2-Iodophenyl)-1H-tetrazole) Hazard Symbols N/A
Synonyms

1H-Tetrazole,5-(2-iodophenyl)- (9CI); 5-(2-Iodophenyl)-1H-tetrazole;5-(o-Iodophenyl)tetrazole

Article Data 4

5-(2-Iodophenyl)-1H-tetrazole Chemical Properties

Molecular Structure of 5-(2-Iodophenyl)-1H-tetrazole (CAS NO.73096-40-9):

Empirical Formula: C7H5IN4
Molecular Weight: 272.0459
CAS Registry Number: 73096-40-9
ACD/LogP: 2.64
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 1
ACD/LogD (pH 7.4): 0
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 12
ACD/KOC (pH 7.4): 4
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 1
Polar Surface Area: 54.46 Å2
Index of Refraction: 1.706
Molar Refractivity: 52.458 cm3
Molar Volume: 134.785 cm3
Surface Tension: 76.248 dyne/cm
Density: 2.018 g/cm3
Flash Point: 197.64 °C
Enthalpy of Vaporization: 65.445 kJ/mol
Boiling Point: 403.187 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
SMILES: Ic1ccccc1c2nnnn2
InChI: InChI=1/C7H5IN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)

5-(2-Iodophenyl)-1H-tetrazole Specification

  5-(2-Iodophenyl)-1H-tetrazole , with CAS number of 73096-40-9, can be called 1H-tetrazole, 5-(2-iodophenyl)- .

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