1-Ethyl-2-nitrobenzene

C8H9NO2CAS 612-22-6151.16 g/mol

Open in Covalent MOL file
N+OO−
Nitro

Properties

Molecular formula
C8H9NO2
Molar mass
151.16 g/mol
Exact mass
151.0633 Da
Density
1.1236 g/mL (at 20 °C)
Melting point
−12.3 °C
Boiling point
232.5 °C
logP
2.16Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
612-22-6
SMILES
CCc1ccccc1[N+](=O)[O-]
InChIKey
PXWYZLWEKCMTEZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H9NO2/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1-ethyl-2-nitro-
  • o-Nitroethylbenzene
  • o-Ethylnitrobenzene
  • 2-Ethyl-1-nitrobenzene
  • 2-Ethylnitrobenzene
  • NSC 5095
  • 2-Nitro-1-ethylbenzene
  • 2-Nitro(ethylbenzene)
  • Benzenamine, 2-ethyl-N,N-dihydroxy-

Work with 1-Ethyl-2-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2′-Dinitrodibenzyl16968-19-769 % similar 2-Nitrobenzyl alcohol612-25-965 % similar Alpha-Bromo-2-nitrotoluene3958-60-963 % similar 2-Nitrobenzyl chloride612-23-763 % similar 1,2-Dinitrobenzene528-29-059 % similar 2-Nitrobenzeneethanol15121-84-359 % similar 2-Nitrobenzeneacetonitrile610-66-259 % similar (2-Nitrophenyl)methanamine hydrochloride24835-08-357 % 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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