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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 | Hazard Symbols | N/A | |
Synonyms |
1H-Tetrazole,5-(2-iodophenyl)- (9CI); 5-(2-Iodophenyl)-1H-tetrazole;5-(o-Iodophenyl)tetrazole |
Article Data | 4 |
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 , with CAS number of 73096-40-9, can be called 1H-tetrazole, 5-(2-iodophenyl)- .