2,4,5-Tribromo-1-methyl-1H-imidazole

C₄H₃Br₃N₂CAS 1003-91-4318.79 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₄H₃Br₃N₂
Molar mass: 318.79 g/mol
Exact mass: 315.7846 Da
logP: 2.71Crippen estimate
Polar surface area: 17.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful 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+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1003-91-4

SMILES

CN1C(=C(N=C1Br)Br)Br

InChIKey

KAMDVXMJRMNDCQ-UHFFFAOYSA-N

InChI

InChI=1S/C4H3Br3N2/c1-9-3(6)2(5)8-4(9)7/h1H3

Weigh it out

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

Work with 2,4,5-Tribromo-1-methyl-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-Dibromo-1-methyl-1H-imidazole1003-50-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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