Nitrophenol
Properties
- Molecular formula
- C6H5NO3
- Molar mass
- 139.11 g/mol
- Exact mass
- 139.0269 Da
- Density
- 1.5 g/mL
- Melting point
- 44–45 °C
- Boiling point
- 216 °C
- pKa
- 7.23 (25 °C)
- Flash point
- 108 °C (closed cup)
- Water solubility
- 2.1 g/L (20 °C)
- logP
- 1.30Crippen estimate
- Polar surface area
- 63.4 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled15.2% of notifiers
- H302 Harmful if swallowed97.8% of notifiers
- H312 Harmful in contact with skin72.3% of notifiers
- H315 Causes skin irritation23.9% of notifiers
- H319 Causes serious eye irritation23.9% of notifiers
- H332 Harmful if inhaled72.8% of notifiers
- H335 May cause respiratory irritation21.2% of notifiers
- H400 Very toxic to aquatic life72.3% of notifiers
- H410 Very toxic to aquatic life with long lasting effects72.3% of notifiers
- H412 Harmful to aquatic life with long lasting effects25% of notifiers
Aggregated from 184 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
88-75-5SMILES
O=[N+]([O-])c1ccccc1OInChIKey
IQUPABOKLQSFBK-UHFFFAOYSA-NInChI
InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(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
7 names
- Phenol, 2-nitro-
- Phenol, o-nitro-
- 2-Nitrophenol
- o-Hydroxynitrobenzene
- o-Nitrophenol
- 2-Hydroxynitrobenzene
- NSC 1552
Work with 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
1,2-Dinitrobenzene528-29-067 % similar
2-Fluoro-3-nitrophenol179816-26-365 % similar
2-Methyl-3-nitrophenol5460-31-165 % similar
2-Amino-3-nitrophenol603-85-065 % similar
3-Hydroxy-2-nitropyridine15128-08-261 % similar
3-Hydroxy-2-nitropyridine15128-82-261 % similar
4-Nitro-1-naphthol605-62-961 % similar
2,6-Dinitrophenol573-56-861 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.