4,6-Dinitro-O-Cresol
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Basic Info
| Common Name | 4,6-Dinitro-O-Cresol(F03348) |
| 2D Structure | |
| Description | 4,6-Dinitro-o-cresol is the most commercially important of the 18 different dinitrocresols, a class of manufactured chemicals. 4,6-Dinitro-o-cresol (DNOC) is used primarily for insect control and crop protection. It may be sold under different trade names, including Antinonnin, Detal, and Dinitrol. DNOC was used in diet pills in the 1930s, but has since been banned for this use. (L198) |
| FRCD ID | F03348 |
| CAS Number | 534-52-1 |
| PubChem CID | 10800 |
| Formula | C7H6N2O5 |
| IUPAC Name | 2-methyl-4,6-dinitrophenol |
| InChI Key | ZXVONLUNISGICL-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3 |
| Canonical SMILES | CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-] |
| Isomeric SMILES | CC1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-] |
| Synonyms |
2-Methyl-4,6-dinitrophenol
534-52-1
Dinitrocresol
4,6-DINITRO-O-CRESOL
DNOC
Antinonnin
Sinox
Winterwash
Antinonin
Arborol
|
| Classifies |
Pollutant
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Organic compounds |
| Superclass | Benzenoids |
| Class | Phenols |
| Subclass | Nitrophenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dinitrophenols |
| Alternative Parents | |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Dinitrophenol - Dinitrotoluene - Nitrobenzene - Nitrotoluene - Nitroaromatic compound - O-cresol - Toluene - Monocyclic benzene moiety - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as dinitrophenols. These are organic aromatic compounds containing a benzene that carries a single phenol group and exactly two nitro groups. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 198.134 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 0 |
| Complexity | 245 |
| Monoisotopic Mass | 198.028 |
| Exact Mass | 198.028 |
| XLogP | 2.1 |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Citrus fruits | 0110000 | European Union | 0.01* | 30/12/2015 | |
| Grapefruits (Natsudaidais, Shaddocks/pomelos, Sweeties/oroblancos, Tangelolos, Tangelos (except minneolas)/Ugli®, Other hybrids of Citrus paradisi, not elsewhere mentioned,) | 0110010 | European Union | 0.01* | 30/12/2015 | |
| Oranges (Bergamots, Bitter oranges/sour oranges, Blood oranges, Cara caras, Chinottos, Trifoliate oranges, Other hybrids of Citrus sinensis, not elsewhere mentioned,) | 0110020 | European Union | 0.01* | 30/12/2015 | |
| Lemons (Buddha's hands/Buddha's fingers, Citrons,) | 0110030 | European Union | 0.01* | 30/12/2015 | |
| Duck | 1030020 | European Union | 0.02* | 30/12/2015 | |
| Others (2) | 0110990 | European Union | 0.01* | 30/12/2015 | |
| Tree nuts | 0120000 | European Union | 0.02* | 30/12/2015 | |
| Almonds (Apricot kernels, Bitter almonds, Canarium nuts/galip nuts, Pili nuts, Okari nuts,) | 0120010 | European Union | 0.02* | 30/12/2015 | |
| Brazil nuts | 0120020 | European Union | 0.02* | 30/12/2015 | |
| Cashew nuts | 0120030 | European Union | 0.02* | 30/12/2015 | |
| Chestnuts | 0120040 | European Union | 0.02* | 30/12/2015 | |
| Coconuts (Areca nuts/betel nuts,) | 0120050 | European Union | 0.02* | 30/12/2015 | |
| Hazelnuts/cobnuts (Acorns, Filberts,) | 0120060 | European Union | 0.02* | 30/12/2015 | |
| Macadamias | 0120070 | European Union | 0.02* | 30/12/2015 | |
| Pecans (Hickory nuts,) | 0120080 | European Union | 0.02* | 30/12/2015 | |
| Pistachios | 0120100 | European Union | 0.02* | 30/12/2015 | |
| Walnuts | 0120110 | European Union | 0.02* | 30/12/2015 | |
| Others (2) | 0120990 | European Union | 0.02* | 30/12/2015 | |
| Pome fruits | 0130000 | European Union | 0.01* | 30/12/2015 | |
| Apples (Crab apples/wild apples, Tejocotes,) | 0130010 | European Union | 0.01* | 30/12/2015 |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Quenching of tryptophan fluorescence in the presence of 2,4-DNP, 2,6-DNP, 2,4-DNA and DNOC and their mechanism of toxicity. | Molecules | 2013 Feb 18 | 23429343 |