2-Bromo-4-nitroimidazole

C₃H₂BrN₃O₂CAS 65902-59-2191.97 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₃H₂BrN₃O₂
Molar mass: 191.97 g/mol
Exact mass: 190.9330 Da
Melting point: 239–241 °C
logP: 1.08Crippen estimate
Polar surface area: 71.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

65902-59-2

SMILES

O=[N+]([O-])c1cnc(Br)[nH]1

InChIKey

UWRJWMLKEHRGOH-UHFFFAOYSA-N

InChI

InChI=1S/C3H2BrN3O2/c4-3-5-1-2(6-3)7(8)9/h1H,(H,5,6)

Weigh it out

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

Names and synonyms

4 names

1H-Imidazole, 2-bromo-5-nitro-
1H-Imidazole, 2-bromo-4-nitro-
2-Bromo-5-nitro-1H-imidazole
2-Bromo-4-nitro-1H-imidazole

Work with 2-Bromo-4-nitroimidazole

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

2,4-Dinitroimidazole5213-49-061 % similar 2-Chloro-4-nitroimidazole57531-37-058 % similar 2-Methyl-5-nitroimidazole696-23-158 % similar 2-Methyl-5-nitroimidazole88054-22-258 % similar Nitroimidazole3034-38-644 % similar Ethyl 4-nitro-1H-imidazole-2-carboxylate865998-46-543 % similar 2-Bromo-5-nitrothiazole3034-48-841 % similar 5-Bromo-2-nitropyridine39856-50-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione4956-05-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook