2,4-Dinitrophenol

C₆H₄N₂O₅CAS 51-28-5184.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄N₂O₅
Molar mass: 184.11 g/mol
Exact mass: 184.0120 Da
Density: 1.683 g/mL (at 24 °C)
Melting point: 112–114 °C
Boiling point: 158 °C
pKa: 4.09
Water solubility: 5.6 g/L (18 °C)
logP: 1.21Crippen estimate
Polar surface area: 106.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Danger

H300 Fatal if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H331 Toxic if inhaledAcute toxicity, inhalation
H372 Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard

Harmonised EU classification (CLP Annex VI, index 609-041-00-4), via PubChem.

Precautionary statements

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

51-28-5

SMILES

O=[N+]([O-])c1ccc(O)c([N+](=O)[O-])c1

InChIKey

UFBJCMHMOXMLKC-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N2O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H

Weigh it out

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

Names and synonyms

15 names · show all

Phenol, 2,4-dinitro-
Aldifen
α-Dinitrophenol
DNP
2,4-DNP
Fenoxyl carbon N
Nitrophene
Nitrophen
Phenol, α-dinitro-
1-Hydroxy-2,4-dinitrobenzene
Dinitrophenol
Dinofan
NSC 1532
1,3-Dinitro-4-hydroxybenzene
2-Nitro-4-nitrophenol

Work with 2,4-Dinitrophenol

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.

Sodium 2,4-dinitrophenolate1011-73-0Salt

Similar compounds

4-Nitrocatechol3316-09-472 % similar 4-Fluoro-2-nitrophenol394-33-266 % similar 2-Methyl-4-nitrophenol99-53-666 % similar 4-Methyl-2-nitrophenol119-33-564 % similar 4-Amino-2-nitrophenol119-34-664 % similar 2-Fluoro-4-nitrophenol403-19-064 % similar 2-Bromo-4-nitrophenol5847-59-664 % similar Nitrofungin619-08-964 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dinitrophenol329-71-5 2,6-Dinitrophenol573-56-8 6-Hydroxy-5-nitropyridine-3-carboxylic acid6635-31-0 2-Hydroxy-5-nitronicotinic acid6854-07-5

Elsewhere

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