2-Chloro-4-nitroimidazole

C3H2ClN3O2CAS 57531-37-0147.52 g/mol

Open in Covalent MOL file
ON+O−NClHN
Aryl halideNitro

Properties

Molecular formula
C3H2ClN3O2
Molar mass
147.52 g/mol
Exact mass
146.9836 Da
Melting point
216–217 °C
logP
0.97Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
57531-37-0
SMILES
O=[N+]([O-])c1cnc(Cl)[nH]1
InChIKey
BOJZBRDIZUHTCE-UHFFFAOYSA-N
InChI
InChI=1S/C3H2ClN3O2/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

6 names
  • 1H-Imidazole, 2-chloro-5-nitro-
  • 1H-Imidazole, 2-chloro-4-nitro-
  • 2-Chloro-5-nitro-1H-imidazole
  • P21
  • 2-Chloro-4(5)-nitroimidazole
  • 2-Chloro-4-nitro-1H-imidazole

Work with 2-Chloro-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-5-nitro-4-pyrimidinamine1920-66-758 % similar 2-Bromo-4-nitroimidazole65902-59-258 % similar 2-Methyl-5-nitroimidazole696-23-158 % similar 2-Methyl-5-nitroimidazole88054-22-258 % similar 2-Chloro-5-nitropyrimidine10320-42-045 % similar Nitroimidazole3034-38-644 % similar Ethyl 4-nitro-1H-imidazole-2-carboxylate865998-46-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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