4-Methyl-2-nitrophenol

C7H7NO3CAS 119-33-5153.14 g/mol

Open in Covalent MOL file
OHN+OO−
NitroPhenol

Properties

Molecular formula
C7H7NO3
Molar mass
153.14 g/mol
Exact mass
153.0426 Da
Density
1.2399 g/mL (at 38.6 °C)
Melting point
36.5 °C
Boiling point
125 °C
logP
1.61Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 53 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
119-33-5
SMILES
Cc1ccc(O)c([N+](=O)[O-])c1
InChIKey
SYDNSSSQVSOXTN-UHFFFAOYSA-N
InChI
InChI=1S/C7H7NO3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Phenol, 4-methyl-2-nitro-
  • p-Cresol, 2-nitro-
  • 2-Nitro-p-cresol
  • 4-Hydroxy-3-nitrotoluene
  • 2-Nitro-4-methylphenol
  • o-Nitro-p-methylphenol
  • NSC 5387
  • NSC 66511

Work with 4-Methyl-2-nitrophenol

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

5-Methyl-2-nitrophenol700-38-975 % similar 3,4-Dinitrotoluene610-39-968 % similar 2,4-Dinitrophenol51-28-564 % similar 1,4-Dimethyl-2-nitrobenzene89-58-764 % similar 4-Fluoro-2-nitrophenol394-33-262 % similar 2,6-Dinitro-p-cresol609-93-861 % similar 4-Amino-2-nitrophenol119-34-660 % similar 4-Fluoro-3-nitrotoluene446-11-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitroanisole100-17-4 Methyl 2-oxo-1,2-dihydropyridine-3-carboxylate10128-91-3 2-Methoxy-4-pyridinecarboxylic acid105596-63-2 2-Methyl-6-nitrophenol13073-29-5 3-Amino-4-hydroxybenzoic acid1571-72-8 2-Methoxynicotinic acid16498-81-0 4-Methyl-3-nitrophenol2042-14-0 4-Amino-3-hydroxybenzoic acid2374-03-0

Elsewhere

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