4,5-Diiodo-1H-imidazole

C₃H₂I₂N₂CAS 15813-09-9319.87 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₃H₂I₂N₂
Molar mass: 319.87 g/mol
Exact mass: 319.8307 Da
Melting point: 182 °C
logP: 1.62Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

15813-09-9

SMILES

Ic1nc[nH]c1I

InChIKey

XMWPTVMTXKJONE-UHFFFAOYSA-N

InChI

InChI=1S/C3H2I2N2/c4-2-3(5)7-1-6-2/h1H,(H,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names

1H-Imidazole, 4,5-diiodo-
Imidazole, 4,5-diiodo-
4,5-Diiodoimidazole

Work with 4,5-Diiodo-1H-imidazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-6-iodopurine19690-23-436 % similar 4-Iodo-1H-imidazole71759-89-235 % similar 2,4,5-Triiodo-1H-imidazole1746-25-433 % similar 4,5-Diiodo-2-methyl-1H-imidazole73746-44-831 % similar 2-Chloro-5-iodopyrimidine32779-38-731 % similar Purine120-73-030 % similar 2-Iodopyridin-3-ol40263-57-830 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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