Basic Information | Post buying leads | Suppliers |
Name |
2H-Tetrazole,5-(iodomethyl)- |
EINECS | N/A |
CAS No. | 107933-72-2 | Density | 2.543g/cm3 |
PSA | 54.46000 | LogP | 0.13470 |
Solubility | N/A | Melting Point |
N/A |
Formula | C2H3IN4 | Boiling Point | 331.1 °C at 760 mmHg |
Molecular Weight | 209.98 | Flash Point | 154.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Tetrazole,5-(iodomethyl)- (9CI);Tetrazole, 5-(iodomethyl)- (6CI); |
The 2H-Tetrazole,5-(iodomethyl)-, with CAS registry number 107933-72-2, has the systematic name of 5-(iodomethyl)-2H-tetrazole. Besides this, it is also called 5-(Iodomethyl)-1H-tetrazole. And the chemical formula of this chemical is C2H3IN4.
Physical properties of 2H-Tetrazole,5-(iodomethyl)-: (1)ACD/LogP: -0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -2.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 32.84 cm3; (15)Molar Volume: 82.5 cm3; (16)Polarizability: 13.02×10-24cm3; (17)Surface Tension: 98.5 dyne/cm; (18)Density: 2.543 g/cm
3; (19)Flash Point: 154.1 °C; (20)Enthalpy of Vaporization: 57.38 kJ/mol; (21)Boiling Point: 331.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000159 mmHg at 25°C.You can still convert the following datas into molecular structure:
(1)SMILES: ICc1nnnn1
(2)InChI: InChI=1/C2H3IN4/c3-1-2-4-6-7-5-2/h1H2,(H,4,5,6,7)
(3)InChIKey: VEZIOPYRSIVDFC-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C2H3IN4/c3-1-2-4-6-7-5-2/h1H2,(H,4,5,6,7)
(5)Std. InChIKey: VEZIOPYRSIVDFC-UHFFFAOYSA-N