2-Bromo-1H-imidazole

C₃H₃BrN₂CAS 16681-56-4146.97 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₃H₃BrN₂
Molar mass: 146.97 g/mol
Exact mass: 145.9480 Da
logP: 1.17Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H315 Causes skin irritation97.6% of notifiers
H318 Causes serious eye damage95.2% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

16681-56-4

SMILES

C1=CN=C(N1)Br

InChIKey

AXHRGVJWDJDYPO-UHFFFAOYSA-N

InChI

InChI=1S/C3H3BrN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)

Weigh it out

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

Work with 2-Bromo-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

2,2'-Biimidazole492-98-848 % similar 2-Chloro-1H-imidazole16265-04-642 % similar 2-Iodo-1H-imidazole3034-62-642 % similar 1,3-Dihydro-2H-imidazol-2-one5918-93-442 % similar 2-Methylimidazole693-98-142 % similar 2-Imidazolidinethione872-35-542 % similar Imidazole-2-carboxaldehyde10111-08-738 % similar 2-Ethylimidazole1072-62-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-1H-pyrazole14521-80-3 4-Bromopyrazole2075-45-8 4-Bromoimidazole2302-25-2

Elsewhere

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