4-Bromo-1-chloro-2-nitrobenzene

C6H3BrClNO2CAS 16588-24-2236.45 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
Density
2.035 g/mL (at 16 °C)
Melting point
70.8 °C
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 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
16588-24-2
SMILES
O=[N+]([O-])c1cc(Br)ccc1Cl
InChIKey
DJRYWPGOQTUJMQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrClNO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 4-bromo-1-chloro-2-nitro-
  • 1-Bromo-4-chloro-3-nitrobenzene
  • 1-Chloro-4-bromo-2-nitrobenzene
  • 4-Chloro-3-nitrobromobenzene
  • 3-Bromo-6-chloronitrobenzene
  • 5-Bromo-2-chloronitrobenzene
  • 2-Chloro-5-bromonitrobenzene

Work with 4-Bromo-1-chloro-2-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

4-Bromo-1,2-dinitrobenzene610-38-868 % similar 4-Chloro-3-nitrophenol610-78-665 % similar 2,5-Dibromonitrobenzene3460-18-264 % similar 1,4-Dichloro-2-nitrobenzene89-61-264 % similar 2,4-Dinitrochlorobenzene97-00-764 % similar 1-Chloro-4-fluoro-2-nitrobenzene345-17-562 % similar 4-Bromo-1-iodo-2-nitrobenzene112671-42-860 % similar 4-Bromo-1-fluoro-2-nitrobenzene364-73-860 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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-2-chloro-3-nitrobenzene3970-37-4 1-Bromo-4-chloro-2-nitrobenzene41513-04-6

Elsewhere

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