2-Bromo-4-nitrobenzenamine

C6H5BrN2O2CAS 13296-94-1217.02 g/mol

Open in Covalent MOL file
H2NN+OO−Br
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5BrN2O2
Molar mass
217.02 g/mol
Exact mass
215.9534 Da
Melting point
104.5 °C
logP
1.94Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

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, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
13296-94-1
SMILES
Nc1ccc([N+](=O)[O-])cc1Br
InChIKey
CGPPWNTVTNCHDO-UHFFFAOYSA-N
InChI
InChI=1S/C6H5BrN2O2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H,8H2

Weigh it out

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Names and synonyms

8 names
  • Benzenamine, 2-bromo-4-nitro-
  • Aniline, 2-bromo-4-nitro-
  • 2-Bromo-4-nitroaniline
  • 1-Amino-2-bromo-4-nitrobenzene
  • 2-Amino-5-nitrophenyl bromide
  • NSC 28330
  • 4-Nitro-2-bromoaniline
  • 2-Bromo-4-nitro-phenylamine

Work with 2-Bromo-4-nitrobenzenamine

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-Nitro-1,2-phenylenediamine99-56-968 % similar 2,4-Dinitroaniline97-02-964 % similar 2-Amino-5-nitrophenol121-88-062 % similar 2,6-Dibromo-4-nitroaniline827-94-161 % similar 2-Chloro-4-nitroaniline121-87-960 % similar 2-Bromo-1-chloro-4-nitrobenzene16588-26-460 % similar 2-Fluoro-4-nitrobenzenamine369-35-760 % similar 2-Bromo-4-nitrophenol5847-59-660 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-2-methylpyrimidine-4-carboxylic acid100707-39-9 2-Bromo-5-nitroaniline10403-47-1 3-Bromo-2-methyl-5-nitropyridine186593-42-0 6-Bromo-2-methyl-3-nitropyridine22282-96-8 2-Bromo-3-nitro-4-picoline23056-45-3 2-Bromo-4-methyl-5-nitropyridine23056-47-5 2-Bromo-3-methyl-5-nitropyridine23132-21-0 2-Bromo-6-methyl-3-nitropyridine374633-31-5

Elsewhere

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