2,4,5-Triiodo-1H-imidazole

C₃HI₃N₂CAS 1746-25-4445.77 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₃HI₃N₂
Molar mass: 445.77 g/mol
Exact mass: 445.7274 Da
Melting point: 191–192 °C
logP: 2.22Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1746-25-4

SMILES

Ic1nc(I)c(I)[nH]1

InChIKey

HIDCNJIBRZBEPN-UHFFFAOYSA-N

InChI

InChI=1S/C3HI3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)

Weigh it out

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

Names and synonyms

5 names

1H-Imidazole, 2,4,5-triiodo-
Imidazole, 2,4,5-triiodo-
2,4,5-Triiodoimidazole
RGW 809
NSC 222411

Work with 2,4,5-Triiodo-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

4,5-Diiodo-2-methyl-1H-imidazole73746-44-852 % similar 4,5-Diiodo-1H-imidazole15813-09-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook