1-Bromo-2,4-dinitrobenzene

C6H3BrN2O4CAS 584-48-5247.00 g/mol

Open in Covalent MOL file
ON+O−BrN+OO−
Aryl halideNitro

Properties

Molecular formula
C6H3BrN2O4
Molar mass
247.00 g/mol
Exact mass
245.9276 Da
Melting point
51 °C
logP
2.27Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
584-48-5
SMILES
O=[N+]([O-])c1ccc(Br)c([N+](=O)[O-])c1
InChIKey
PBOPJYORIDJAFE-UHFFFAOYSA-N
InChI
InChI=1S/C6H3BrN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H

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Names and synonyms

9 names
  • Benzene, 1-bromo-2,4-dinitro-
  • 2,4-Dinitrobromobenzene
  • 4-Bromo-1,3-dinitrobenzene
  • o,p-Dinitrophenyl bromide
  • 2,4-Dinitrophenyl bromide
  • 6-Bromo-1,3-dinitrobenzene
  • NSC 3808
  • 2-Bromo-1,5-dinitrobenzene
  • 2,4-Nitrophenyl bromide

Work with 1-Bromo-2,4-dinitrobenzene

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

2,5-Dibromonitrobenzene3460-18-268 % similar 1-Bromo-4-fluoro-2-nitrobenzene446-09-366 % similar 2-Bromo-5-nitroaniline10403-47-164 % similar 1-Bromo-2-fluoro-4-nitrobenzene185331-69-564 % similar 1-Bromo-2-chloro-4-nitrobenzene29682-39-164 % similar 1-Bromo-4-chloro-2-nitrobenzene41513-04-664 % similar 1-Bromo-4-methyl-2-nitrobenzene5326-34-164 % similar 4-Bromo-3-nitrobenzenamine53324-38-264 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Bromo-3,5-dinitrobenzene18242-39-2 4-Bromo-1,2-dinitrobenzene610-38-8 5-Bromo-3-nitropyridine-2-carboxylic acid954240-89-2

Elsewhere

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