2H-Tetrazole,5-(iodomethyl)- supplier

Name
5-(IODOMETHYL)-1H-TETRAZOLE
EINECS
CAS No. 107933-72-2
Density 2.543g/cm³
Solubility
Melting Point
Formula C₂H₃IN₄
Boiling Point 331.1 °C at 760 mmHg
Molecular Weight 209.98
Flash Point 154.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Tetrazole,5-(iodomethyl)- (9CI);Tetrazole, 5-(iodomethyl)- (6CI);
PSA 54.46000
LogP 0.13470

2H-Tetrazole,5-(iodomethyl)- Specification

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/cm³; (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

Product Name

5-(IODOMETHYL)-1H-TETRAZOLE

2H-Tetrazole,5-(iodomethyl)- Specification

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