1-Bromo-2-chloro-3-nitrobenzene

C6H3BrClNO2CAS 3970-37-4236.45 g/mol

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

Properties

Molecular formula
C6H3BrClNO2
Molar mass
236.45 g/mol
Exact mass
234.9036 Da
logP
3.01Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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
3970-37-4
SMILES
O=[N+]([O-])c1cccc(Br)c1Cl
InChIKey
JNIDAGAFFKAPRV-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClNO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H

Weigh it out

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

Names and synonyms

1 names
  • Benzene, 1-bromo-2-chloro-3-nitro-

Work with 1-Bromo-2-chloro-3-nitrobenzene

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-Chloro-1,3-dinitrobenzene606-21-374 % similar 1-Bromo-2-nitrobenzene577-19-566 % similar 2,3-Dichloronitrobenzene3209-22-165 % similar 1-Bromo-5-nitronaphthalene5328-76-763 % similar 3-Bromo-4-chloro-5-nitropyridine31872-63-662 % similar 2-Bromo-6-nitrophenol13073-25-161 % similar 2-Chloro-1-fluoro-3-nitrobenzene21397-07-961 % similar 2-Chloro-1-methyl-3-nitrobenzene3970-40-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1-chloro-2-nitrobenzene16588-24-2 2-Bromo-1-chloro-4-nitrobenzene16588-26-4 2-Bromo-1-chloro-3-nitrobenzene19128-48-4 1-Bromo-3-chloro-5-nitrobenzene219817-43-3 5-Bromo-6-chloropyridine-3-carboxylic acid29241-62-1 5-Bromo-2-chloronicotinic acid29241-65-4 1-Bromo-2-chloro-4-nitrobenzene29682-39-1 1-Bromo-4-chloro-2-nitrobenzene41513-04-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook