1-Ethyl-4-nitrobenzene
Properties
- Molecular formula
- C8H9NO2
- Molar mass
- 151.16 g/mol
- Exact mass
- 151.0633 Da
- Density
- 1.1226 g/mL (at 20 °C)
- Melting point
- −12.3 °C
- Boiling point
- 245.5 °C
- logP
- 2.16Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
100-12-9SMILES
CCc1ccc([N+](=O)[O-])cc1InChIKey
RESTWAHJFMZUIZ-UHFFFAOYSA-NInChI
InChI=1S/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- Benzene, 1-ethyl-4-nitro-
- p-Nitroethylbenzene
- p-Ethylnitrobenzene
- p-Nitrophenylethane
- 4-Ethylnitrobenzene
- 4-Ethyl-1-nitrobenzene
- NSC 858
- 4-Nitro-1-ethylbenzene
Work with 1-Ethyl-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,2-Bis(4-nitrophenyl)ethane736-30-169 % similar
1,4-Dinitrobenzene100-25-463 % similar
4-Nitrobenzyl bromide100-11-860 % similar
4-Nitrobenzyl chloride100-14-160 % similar
4-Nitrobenzyl fluoride500-11-860 % similar
4-Nitrobenzyl alcohol619-73-860 % similar
2-(4-Nitrophenyl)ethanol100-27-658 % similar
4-Nitrophenethyl bromide5339-26-458 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds