chempirical

4-Nitro-M-xylene

C8H9NO2CAS 89-87-2151.17 g/mol

Open in Covalent MOL file
N+OO−
Nitro

Properties

Molecular formula
C8H9NO2
Molar mass
151.17 g/mol
Exact mass
151.0633 Da
Melting point
9 °C
Boiling point
247 °C
logP
2.21Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
89-87-2
SMILES
Cc1ccc([N+](=O)[O-])c(C)c1
InChIKey
BBUPBICWUURTNP-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)7(2)5-6/h3-5H,1-2H3

Weigh it out

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Names and synonyms

8 names
  • Benzene, 2,4-dimethyl-1-nitro-
  • m-Xylene, 4-nitro-
  • 2,4-Dimethyl-1-nitrobenzene
  • 4-Nitro-1,3-dimethylbenzene
  • 4-Nitro-1,3-xylene
  • 1-Nitro-2,4-dimethylbenzene
  • 1,3-Dimethyl-4-nitrobenzene
  • NSC 50661

Work with 4-Nitro-M-xylene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dimethyl-2-nitrobenzene89-58-779 % similar 3,4-Dinitrotoluene610-39-972 % similar 2-Chloro-4-methyl-1-nitrobenzene38939-88-766 % similar 3-Methyl-4-nitrophenol2581-34-264 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-364 % similar 2-Fluoro-4-methyl-1-nitrobenzene446-34-464 % similar 4-Chloro-2-methyl-1-nitrobenzene5367-28-264 % similar 5-Methyl-2-nitroaniline578-46-164 % similar

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

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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