2,6-Dinitrophenol

C₆H₄N₂O₅CAS 573-56-8184.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₄N₂O₅
Molar mass: 184.11 g/mol
Exact mass: 184.0120 Da
Melting point: 63–64 °C
pKa: 3.69 (25 °C)
Water solubility: 5.16 g/L (50 °C)
logP: 1.21Crippen estimate
Polar surface area: 106.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H331 Toxic if inhaledAcute toxicity, inhalation
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 609-054-00-5[3]), 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

573-56-8

SMILES

O=[N+]([O-])c1cccc([N+](=O)[O-])c1O

InChIKey

JCRIDWXIBSEOEG-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

Phenol, 2,6-dinitro-
o-Dinitrophenol
Phenol, β-dinitro-
2,6-DNP
β-Dinitrophenol
NSC 6215

Work with 2,6-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromo-6-nitrophenol13073-25-175 % similar 2-Chloro-6-nitrophenol603-86-175 % similar 2-Methyl-6-nitrophenol13073-29-572 % similar 2-Fluoro-6-nitrophenol1526-17-672 % similar 2-Hydroxy-3-nitrobenzaldehyde5274-70-468 % similar 3-Nitrosalicylic acid85-38-164 % similar 2,6-Dinitroaniline606-22-463 % similar 1,2-Dinitrobenzene528-29-063 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dinitrophenol329-71-5 2,4-Dinitrophenol51-28-5 6-Hydroxy-5-nitropyridine-3-carboxylic acid6635-31-0 2-Hydroxy-5-nitronicotinic acid6854-07-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook