1-Bromo-2-methyl-4-nitrobenzene

C7H6BrNO2CAS 7149-70-4216.03 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
logP
2.67Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
7149-70-4
SMILES
Cc1cc([N+](=O)[O-])ccc1Br
InChIKey
HIMGPQVBNICCGL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrNO2/c1-5-4-6(9(10)11)2-3-7(5)8/h2-4H,1H3

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Names and synonyms

7 names
  • Benzene, 1-bromo-2-methyl-4-nitro-
  • Toluene, 2-bromo-5-nitro-
  • 2-Methyl-4-nitro-1-bromobenzene
  • 2-Bromo-5-nitrotoluene
  • 4-Bromo-3-methylnitrobenzene
  • 3-Methyl-4-bromonitrobenzene
  • NSC 72323

Work with 1-Bromo-2-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

2-Bromo-1-methyl-4-nitrobenzene7745-93-975 % similar 4-Nitro-o-xylene99-51-468 % similar 1-Bromo-2,4-dinitrobenzene584-48-564 % similar 1-Iodo-2-methyl-4-nitrobenzene5326-38-562 % similar 2-Methyl-4-nitrophenol99-53-662 % similar 2-Bromo-5-nitroaniline10403-47-160 % similar 1-Chloro-2-methyl-4-nitrobenzene13290-74-960 % similar 1-Bromo-2-fluoro-4-nitrobenzene185331-69-560 % 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-(5-Bromopyridin-2-yl)acetic acid192642-85-6 2-Amino-6-bromobenzoic acid20776-48-1 2-Amino-4-bromobenzoic acid20776-50-5 2-Amino-3-bromobenzoic acid20776-51-6 2-Bromo-isonicotinic acid methyl ester26156-48-9 Methyl 6-bromo-2-pyridinecarboxylate26218-75-7

Elsewhere

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