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    Technical details about MolPort-002-048-603, learn more about the structure, uses, toxicity, action, side effects and more

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    MolPort-002-048-603

    PRICE INFORMATION

    REF. STANDARDS & IMPURITIES

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 573-56-8, O-dinitrophenol, Phenol, 2,6-dinitro-, Beta-dinitrophenol, 2,6-dnp, Dinitro-2,6-phenol
    Molecular Formula
    C6H4N2O5
    Molecular Weight
    184.11  g/mol
    InChI Key
    JCRIDWXIBSEOEG-UHFFFAOYSA-N
    FDA UNII
    F4QM4I92KC
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,6-dinitrophenol
    2.1.2 InChI
    InChI=1S/C6H4N2O5/c9-6-4(7(10)11)2-1-3-5(6)8(12)13/h1-3,9H
    2.1.3 InChI Key
    JCRIDWXIBSEOEG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    F4QM4I92KC
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 573-56-8

    2. O-dinitrophenol

    3. Phenol, 2,6-dinitro-

    4. Beta-dinitrophenol

    5. 2,6-dnp

    6. Dinitro-2,6-phenol

    7. 2,6-dinitrofenol

    8. .beta.-dinitrophenol

    9. Phenol, .beta.-dinitro-

    10. Chebi:39357

    11. F4qm4i92kc

    12. Nsc-6215

    13. Phenol, Beta-dinitro-

    14. 2,6-dinitrofenol [czech]

    15. 2,6-dinitro-phenol

    16. Ccris 3104

    17. Hsdb 6306

    18. Nsc 6215

    19. Einecs 209-357-9

    20. Unii-f4qm4i92kc

    21. Brn 1913410

    22. 2,6-dinitro Phenol

    23. Wln: Wnr Bq Cnw

    24. Epitope Id:161741

    25. 2,6-dinitrophenol, 95%

    26. Schembl1077970

    27. Chembl3278560

    28. Dtxsid5022063

    29. 2,6-dinitrophenol [mi]

    30. Nsc6215

    31. Stl355968

    32. Zinc12358884

    33. Akos000274520

    34. As-40741

    35. Db-020252

    36. Bb 0259250

    37. Ft-0610716

    38. 2,6-dinitrophenol 10 Microg/ml In Acetonitrile

    39. Q20856130

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 184.11 g/mol
    Molecular Formula C6H4N2O5
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count0
    Exact Mass184.01202123 g/mol
    Monoisotopic Mass184.01202123 g/mol
    Topological Polar Surface Area112 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity198
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Absorption, Distribution and Excretion

    /The investigators/ ... studied the pharmacokinetics of ... dinitrophenol isomers /incl 2,6-dinitrophenol/ and showed that elimination from the blood of mice, rabbits, guinea pigs, rats, and monkeys was complete within 30 hr.

    National Research Council. Drinking Water & Health, Volume 4. Washington, DC: National Academy Press, 1981., p. 234

    Dinitrophenol isomers are readily absorbed from the gastrointestinal tract and through the skin and lungs. The dinitrophenol isomers are not stored to any significant extent in the tissues of humans or lab animals following absorption, but are readily excreted, primarily via the urine. /Dinitrophenol/

    National Research Council. Drinking Water & Health, Volume 4. Washington, DC: National Academy Press, 1981., p. 233

    Absorption of dinitro compounds can take place with ease through the lungs, the gut, or the intact skin. The rate of absorption through skin is likely to be greater when the substances are applied in oily rather than aq soln. /Dinitro cmpd/

    Clarke, M. L., D. G. Harvey and D. J. Humphreys. Veterinary Toxicology. 2nd ed. London: Bailliere Tindall, 1981., p. 134

    ... Dinitro compounds are persistent yellow dye-stuffs, staining exposed skin, hair, wool, fur, and feathers a distinct yellow or orange color which remains obvious for weeks or even months afterwards, despite the action of water and weather. Such staining provides evidence of at least external contact with the chemicals. /Dinitro cmpd/

    Clarke, M. L., D. G. Harvey and D. J. Humphreys. Veterinary Toxicology. 2nd ed. London: Bailliere Tindall, 1981., p. 135

    4.2 Metabolism/Metabolites

    Metabolites of 2,6-Dinitrophenol: 2-amino-6-nitrophenol, 6-amino-2-nitrophenol, 2,6-diaminophenol /From table/

    U.S. Dept Health & Human Services/Agency for Toxic Substances & Disease Registry; Toxicological Profile for Dinitrophenols p.168 (August 1995) Toxic Profiles 64. Available from, as of September 16, 2010: https://www.atsdr.cdc.gov/toxprofiles/index.asp

    4.3 Biological Half-Life

    The half-lives for elimination of 2,6-dinitrophenol from the blood of mice and rats following a single large dose given intraperitoneally are 238 min and 210 min, respectively. /From table/

    National Research Council. Drinking Water & Health, Volume 4. Washington, DC: National Academy Press, 1981., p. 234

    4.4 Mechanism of Action

    ... /Of/ the six isomeric dinitrophenols, those with nitro groups in the 2,4- and 3,4-positions stimulate oxygen consumption, whereas those with nitro groups in the 2,5-position do not. ...

    Hayes, Wayland J., Jr. Pesticides Studied in Man. Baltimore/London: Williams and Wilkins, 1982., p. 463

    All nitrophenols inhibit the microbial growth of natural aquatic systems because they uncouple the metabolic process of oxidative phosphorylation. /Nitrophenols/

    Callahan, M.A., M.W. Slimak, N.W. Gabel, et al. Water-Related Environmental Fate of 129 Priority Pollutants. Volume I. EPA-440/4 79-029a. Washington, DC: U.S. Environmental Protection Agency, December 1979., p. 90-5

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