2-Methyl-4,6-dinitrophenol
Properties
- Molecular formula
- C7H6N2O5
- Molar mass
- 198.13 g/mol
- Exact mass
- 198.0277 Da
- Density
- 1.58 g/mL (at 20 °C)
- Melting point
- 86.5 °C
- Boiling point
- 220 °C
- pKa
- 4.31
- Water solubility
- 198 mg/L (20 °C)
- logP
- 1.52Crippen estimate
- Polar surface area
- 106.5 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 2
Hazards
Danger
- H300 Fatal if swallowedAcute toxicity, oral
- H310 Fatal in contact with skinAcute toxicity, dermal
- H315 Causes skin irritationSkin corrosion/irritation
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H330 Fatal if inhaledAcute toxicity, inhalation
- H341 Suspected of causing genetic defectsGerm cell mutagenicity
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
534-52-1SMILES
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OInChIKey
ZXVONLUNISGICL-UHFFFAOYSA-NInChI
InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
47 names · show all
- Phenol, 2-methyl-4,6-dinitro-
- o-Cresol, 4,6-dinitro-
- Dekrysil
- Detal
- 4,6-Dinitro-o-cresol
- 3,5-Dinitro-2-hydroxytoluene
- Dinitrol
- 2,4-Dinitro-6-methylphenol
- Ditrosol
- DNOC
- Effusan
- Effusan 3436
- Hedolite
- K III
- K IV
- Elgetol 30
- Lipan
- Prokarbol
- Sandolin A
- Sinox
- Dinoc
- Hedolit
- Selinon
- Elgetol
- Winterwash
- Rafex 35
- Rafex
- 6-Methyl-2,4-dinitrophenol
- Krezotol 50
- Sandolin
- Dinitrocresol
- Dillex
- Dinurania
- Extrar
- Flavin-sandoz
- Dinitro-o-cresol
- Neudorff DN 50
- Raphatox
- Arborol
- Degrassan
- Elipol
- Nitrofan
- Dinitro
- Dinitrodendtroxal
- Kreozan
- 4,6-Dinitro-2-methylphenol
- NSC 2082
Work with 2-Methyl-4,6-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
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
2,6-Dimethyl-4-nitrophenol2423-71-480 % similar
Picric acid88-89-173 % similar
2,4-Dimethyl-6-nitrophenol14452-34-771 % similar
Dunnite131-74-867 % similar
2-Chloro-4,6-dinitrophenol946-31-663 % similar
Picramic acid96-91-361 % similar
Dinoterb1420-07-161 % similar
3,5-Dinitrosalicylaldehyde2460-59-559 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds