4-Nitrophenol
Properties
- Molecular formula
- C6H5NO3
- Molar mass
- 139.11 g/mol
- Exact mass
- 139.0269 Da
- Density
- 1.5 g/mL
- Melting point
- 113–114 °C
- Boiling point
- 279 °C
- Water solubility
- 269 g/L (90 °C)
- logP
- 1.30Crippen estimate
- Polar surface area
- 63.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H332 Harmful if inhaledAcute toxicity, inhalation
- H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
Harmonised EU classification (CLP Annex VI, index 609-015-00-2), via PubChem.
Precautionary statements
P260, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P319, P321, P330, P362+P364, P501
Identifiers
CAS number
100-02-7SMILES
O=[N+]([O-])c1ccc(O)cc1InChIKey
BTJIUGUIPKRLHP-UHFFFAOYSA-NInChI
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Phenol, 4-nitro-
- Phenol, p-nitro-
- p-Nitrophenol
- p-Hydroxynitrobenzene
- 4-Hydroxynitrobenzene
- Niphen
- 1-Hydroxy-4-nitrobenzene
- 4-Hydroxy-1-nitrobenzene
- NSC 1317
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 100-02-7. Each row opens the sheet with its composition and PDF.
Work with 4-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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
4-Hydroxy-4'-nitrobiphenyl3916-44-788 % similar
1,4-Dinitrobenzene100-25-471 % similar
4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol112559-81-670 % similar
4,4'-Dinitro-1,1'-biphenyl1528-74-163 % similar
1-Bromo-4-nitrobenzene586-78-762 % similar
3-Nitrophenol554-84-759 % similar
1,2-Bis(4-nitrophenyl)ethane736-30-158 % similar
Nitrobenzene98-95-356 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
3-Hydroxy-4-pyridinecarboxylic acid10128-71-9
Isonicotinic acid N-oxide13602-12-5
5-Hydroxypyridine-2-carboxylic acid15069-92-8
6-Hydroxypicolinic acid19621-92-2
2-Hydroxyisonicotinic acid22282-72-0
4-Hydroxypyridine-2-carboxylic acid22468-26-4
Nicotinic acid N-oxide2398-81-4
5-Hydroxynicotinic acid27828-71-3