2,6-Dinitro-p-cresol

C7H6N2O5CAS 609-93-8198.13 g/mol

Open in Covalent MOL file
N+OO−OHN+OO−
NitroPhenol

Properties

Molecular formula
C7H6N2O5
Molar mass
198.13 g/mol
Exact mass
198.0277 Da
Melting point
85 °C
pKa
4.23 (25 °C)
Water solubility
insoluble
logP
1.52Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
609-93-8
SMILES
Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIKey
HOYRZHJJAHRMLL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,10H,1H3

Weigh it out

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

Names and synonyms

8 names
  • Phenol, 4-methyl-2,6-dinitro-
  • p-Cresol, 2,6-dinitro-
  • 4-Methyl-2,6-dinitrophenol
  • 2,6-Dinitro-4-methylphenol
  • 3,5-Dinitro-4-hydroxytoluene
  • 2,6-Dinitro-4-cresol
  • NSC 33870
  • I 95

Work with 2,6-Dinitro-p-cresol

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

2,4-Dimethyl-6-nitrophenol14452-34-780 % similar 2-Bromo-4-methyl-6-nitrophenol20039-91-275 % similar 2-Amino-4-methyl-6-nitrophenol6265-07-275 % similar 2'-Hydroxy-5'-methyl-3'-nitroacetophenone66108-30-367 % similar Picric acid88-89-166 % similar 2,6-Dinitro-4-fluorophenol364-32-963 % similar 2-Chloro-5-methyl-1,3-dinitrobenzene5264-65-361 % similar 4-Methyl-2-nitrophenol119-33-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Dinitroanisole119-27-7 1-Methoxy-3,5-dinitrobenzene5327-44-6 2-Methyl-4,6-dinitrophenol534-52-1 3,5-Dinitrobenzenemethanol71022-43-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook