2-Propanone, 1,3-dihydroxy-, (2,4-dinitrophenyl)hydrazone
PubChem CID: 98837
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| Compound Synonyms | 54420-11-0, NSC 170333, DTXSID80202828, 2-Propanone, 1,3-dihydroxy-, (2,4-dinitrophenyl)hydrazone (9CI), 2-Propanone, 1,3-dihydroxy-, (2,4-dinitrophenyl)hydrazone, NSC170333, DTXCID10125319, NSC-170333, 2-Propanone,3-dihydroxy-, (2,4-dinitrophenyl)hydrazone |
|---|---|
| Topological Polar Surface Area | 156.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | QPDZOBBTPQNZPW-UHFFFAOYSA-N |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Compound Name | 2-Propanone, 1,3-dihydroxy-, (2,4-dinitrophenyl)hydrazone |
| Description | 2,4-dinitrophenylhydrazone is a member of the class of compounds known as nitrobenzenes. Nitrobenzenes are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group. 2,4-dinitrophenylhydrazone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2,4-dinitrophenylhydrazone can be found in rice, which makes 2,4-dinitrophenylhydrazone a potential biomarker for the consumption of this food product. 2,4-Dinitrophenylhydrazine (DNPH, Brady's reagent, Borche's reagent) is the chemical compound C6H3(NO2)2NHNH2. Dinitrophenylhydrazine is a red to orange solid. It is a substituted hydrazine, and is often used to qualitatively test for carbonyl groups associated with aldehydes and ketones. The hydrazone derivatives can also be used as evidence toward the identity of the original compound. The melting point of the derivative is often used, with reference to a database of values, to determine the identity of a specific carbonyl compound. It is relatively sensitive to shock and friction, it is a shock explosive so care must be taken with its use. To reduce its explosive hazard, it is usually supplied wet . |
| Exact Mass | 270.06 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.06 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 357.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 270.2 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(2,4-dinitrophenyl)hydrazinylidene]propane-1,3-diol |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C9H10N4O6/c14-4-6(5-15)10-11-8-2-1-7(12(16)17)3-9(8)13(18)19/h1-3,11,14-15H,4-5H2 |
| Smiles | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=C(CO)CO |
| Xlogp | 1.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C9H10N4O6 |
- 1. Outgoing r'ship
FOUND_INto/from Oryza Sativa (Plant) Rel Props:Source_db:fooddb_chem_all