4-Nitrobenzyl alcohol
Properties
- Molecular formula
- C7H7NO3
- Molar mass
- 153.14 g/mol
- Exact mass
- 153.0426 Da
- Melting point
- 96.5 °C
- Boiling point
- 185 °C
- logP
- 1.09Crippen estimate
- Polar surface area
- 63.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Identifiers
CAS number
619-73-8SMILES
O=[N+]([O-])c1ccc(CO)cc1InChIKey
JKTYGPATCNUWKN-UHFFFAOYSA-NInChI
InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Benzenemethanol, 4-nitro-
- Benzyl alcohol, p-nitro-
- 4-Nitrobenzenemethanol
- p-(Hydroxymethyl)nitrobenzene
- (4-Nitrophenyl)methanol
- p-Nitrobenzyl alcohol
- 4-(Hydroxymethyl)nitrobenzene
- 1-(Hydroxymethyl)-4-nitrobenzene
- NSC 5389
- p-Nitrophenylmethanol
Reactions
Work with 4-Nitrobenzyl alcohol
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-(4-Nitrophenyl)ethanol100-27-669 % similar
3,5-Dinitrobenzenemethanol71022-43-066 % similar
1,4-Dinitrobenzene100-25-463 % similar
3-Nitrobenzyl alcohol619-25-063 % similar
4-Nitrobenzyl bromide100-11-860 % similar
1-Ethyl-4-nitrobenzene100-12-960 % similar
4-Nitrobenzyl chloride100-14-160 % similar
4-Nitrophenethyl bromide5339-26-458 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds