chempirical

2-Bromo-1-methyl-4-nitrobenzene

C7H6BrNO2CAS 7745-93-9216.03 g/mol

Open in Covalent MOL file
N+OO−Br
Aryl halideNitro

Properties

Molecular formula
C7H6BrNO2
Molar mass
216.03 g/mol
Exact mass
214.9582 Da
Melting point
78 °C
Boiling point
175 °C (at 38 Torr)
logP
2.67Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
7745-93-9
SMILES
Cc1ccc([N+](=O)[O-])cc1Br
InChIKey
XFZFJQHXWJIBQV-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 2-bromo-1-methyl-4-nitro-
  • Toluene, 2-bromo-4-nitro-
  • 2-Bromo-4-nitrotoluene
  • 1-Bromo-2-methyl-5-nitrobenzene
  • 4-Nitro-2-bromotoluene
  • NSC 402166
  • 3-Bromo-4-methylnitrobenzene
  • 3-Bromo-4-methyl-1-nitrobenzene
  • o-Bromo-p-nitrotoluene

Work with 2-Bromo-1-methyl-4-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

1-Bromo-2-methyl-4-nitrobenzene7149-70-475 % similar 4-Nitro-O-xylene99-51-468 % similar 2,4-Dinitrotoluene121-14-264 % similar 2-Iodo-1-methyl-4-nitrobenzene7745-92-862 % similar 2-Chloro-4-nitrotoluene121-86-860 % similar 2-Bromo-4-nitrobenzenamine13296-94-160 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-260 % similar 2-Bromo-1-chloro-4-nitrobenzene16588-26-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Nitrobenzyl bromide100-11-8 5-Bromo-2-methoxypyridine-3-carbaldehyde103058-87-3 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7 3-Amino-4-bromobenzoic acid2840-29-1 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-3 3-Nitrobenzyl bromide3958-57-4

Elsewhere

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