DNOC-ammonium

C₇H₉N₃O₅CAS 2980-64-5215.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₉N₃O₅
Molar mass: 215.16 g/mol
Exact mass: 215.0542 Da
Melting point: 205 °C
logP: 1.68Crippen estimate
Polar surface area: 141.5 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 2

Hazards

Danger

H300 Fatal if swallowedAcute toxicity, oral
H310 Fatal in contact with skinAcute toxicity, dermal
H330 Fatal if inhaledAcute toxicity, inhalation
H373 ** May 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
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 609-022-00-0), via PubChem.

Precautionary statements

P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

2980-64-5

SMILES

Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.N

InChIKey

QOHVLZBCVSJGFV-UHFFFAOYSA-N

InChI

InChI=1S/C7H6N2O5.H3N/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14;/h2-3,10H,1H3;1H3

Weigh it out

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

Names and synonyms

19 names · show all

Phenol, 2-methyl-4,6-dinitro-, ammonium salt (1:1)
o-Cresol, 4,6-dinitro-, ammonium salt
Phenol, 2-methyl-4,6-dinitro-, ammonium salt
o-Cresol, 4,6-dinitro-, NH4 deriv.
o-Cresol, 4,6-dinitro-, ammonium deriv.
4,6-Dinitro-o-cresol ammonium salt
Dinozol 50
Kresonit E
Krezamon
Dinozol
DNOC ammonium salt
Ammonium DNOC
Erbitox
Krezonit E
Superelgetol
Nitrosan
Nitrosan (pesticide)
Kresamone
2-Methyl-4,6-nitrophenol ammonium salt

Work with DNOC-ammonium

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

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.

2-Methyl-4,6-dinitrophenol534-52-1Free acid DNOC-sodium2312-76-7Salt

Similar compounds

Dunnite131-74-876 % similar 2,6-Dimethyl-4-nitrophenol2423-71-473 % similar Picric acid88-89-167 % similar 2,4-Dimethyl-6-nitrophenol14452-34-765 % similar 2-Chloro-4,6-dinitrophenol946-31-658 % similar Picramic acid96-91-356 % similar Dinoterb1420-07-156 % similar 3,5-Dinitrosalicylaldehyde2460-59-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook