2,4,5-Tribromoimidazole

C₃HBr₃N₂CAS 2034-22-2304.77 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₃HBr₃N₂
Molar mass: 304.77 g/mol
Exact mass: 301.7690 Da
Melting point: 218 °C (decomposes)
logP: 2.70Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H300 Fatal if swallowed97.3% of notifiers
H311+H331 Toxic in contact with skin or if inhaled.37.3% of notifiers
H311 Toxic in contact with skin92% of notifiers
H315 Causes skin irritation98.7% of notifiers
H319 Causes serious eye irritation98.7% of notifiers
H331 Toxic if inhaled92% of notifiers
H335 May cause respiratory irritation97.3% of notifiers

Aggregated from 75 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2034-22-2

SMILES

Brc1nc(Br)c(Br)[nH]1

InChIKey

JCGGPCDDFXIVQB-UHFFFAOYSA-N

InChI

InChI=1S/C3HBr3N2/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

4 names

1H-Imidazole, 2,4,5-tribromo-
Imidazole, 2,4,5-tribromo-
2,4,5-Tribromo-1H-imidazole
NSC 514965

Work with 2,4,5-Tribromoimidazole

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-Bromo-4,5-dichloro-1H-imidazole16076-27-036 % similar 2-Bromo-1H-benzimidazole54624-57-633 % similar 4,5-Dibromo-1H-1,2,3-triazole15294-81-230 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4,5-Tribromo-1H-pyrazole17635-44-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook