chempirical

2'-Nitroacetophenone

C8H7NO3CAS 577-59-3165.15 g/mol

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KetoneNitro

Properties

Molecular formula
C8H7NO3
Molar mass
165.15 g/mol
Exact mass
165.0426 Da
Density
1.238 g/mL (at 25 °C)
Melting point
28.5 °C
Boiling point
178 °C
Flash point
112.8 °C
Water solubility
insoluble
logP
1.80Crippen estimate
Polar surface area
60.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
577-59-3
SMILES
CC(=O)c1ccccc1[N+](=O)[O-]
InChIKey
SUGXZLKUDLDTKX-UHFFFAOYSA-N
InChI
InChI=1S/C8H7NO3/c1-6(10)7-4-2-3-5-8(7)9(11)12/h2-5H,1H3

Weigh it out

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

Names and synonyms

12 names
  • 2′-Nitroacetophenone
  • Ethanone, 1-(2-nitrophenyl)-
  • Acetophenone, 2′-nitro-
  • 1-(2-Nitrophenyl)ethanone
  • o-Nitroacetophenone
  • Methyl 2-nitrophenyl ketone
  • 2-Acetylnitrobenzene
  • NSC 3641
  • 1-Acetyl-2-nitrobenzene
  • Methyl o-nitrophenyl ketone
  • 2-Nitrophenylmethylketone
  • 1-(2-Nitrophenyl)ethan-1-one

Reactions

Work with 2'-Nitroacetophenone

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

2′-Hydroxy-3′-nitroacetophenone28177-69-769 % similar 2-Nitrobenzoic acid552-16-960 % similar 2-Nitrobenzoyl chloride610-14-060 % similar Methyl 2-nitrobenzoate606-27-959 % similar 2-Bromo-2'-nitroacetophenone6851-99-655 % similar 1,2-Dinitrobenzene528-29-055 % similar 1,2-Diacetylbenzene704-00-755 % similar Ethyl o-nitrobenzoate610-34-455 % similar

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

Same formula

P-Nitroacetophenone100-19-6 Methyl 6-formylpyridine-3-carboxylate10165-86-3 3′-Nitroacetophenone121-89-1 2-Methyl-5-nitrobenzaldehyde16634-91-6 5-Nitro-2,3-dihydro-1-benzofuran17403-47-3 3-Methyl-4-nitrobenzaldehyde18515-67-8 1,3-Benzodioxole-5-carboxaldehyde oxime2089-36-3 2-Amino-3-formylbenzoic acid27867-47-6

Elsewhere

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