CHEBI:53648 - 3,5-dinitrosalicylic acid

ChEBI IDCHEBI:53648
ChEBI Name3,5-dinitrosalicylic acid
Stars
DefinitionA monohydroxybenzoic acid consisting of 2-hydroxybenzoic acid having nitro substituents at the 3- and 5-positions. It is used in colorimetric testing for the presence of free carbonyl groups (C=O) in reducing sugars.
Secondary ChEBI IDCHEBI:1409
Last Modified24 January 2022
SubmitterSteve
DownloadsMolfile
FormulaC7H4N2O7
Net Charge0
Average Mass228.116
Monoisotopic Mass228.00185
SMILESO=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIInChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)
InChIKeyLWFUFLREGJMOIZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
hapten  Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
ChEBI Ontology
Outgoing Relation(s)
3,5-dinitrosalicylic acid (CHEBI:53648) has functional parent salicylic acid (CHEBI:16914)
3,5-dinitrosalicylic acid (CHEBI:53648) has role hapten (CHEBI:59174)
3,5-dinitrosalicylic acid (CHEBI:53648) is a C-nitro compound (CHEBI:35716)
3,5-dinitrosalicylic acid (CHEBI:53648) is a monohydroxybenzoic acid (CHEBI:25389)
Incoming Relation(s)
3,5-dinitrosalicylic acid hydrazide (CHEBI:189548) has functional parent 3,5-dinitrosalicylic acid (CHEBI:53648)
IUPAC Name 
2-hydroxy-3,5-dinitrobenzoic acid
Synonyms  Source
3,5-Dinitrosalicylic acidKEGG COMPOUND
3,5-Dinitro-2-hydroxybenzoic acidChemIDplus
3,5-DinitrosalicylateChemIDplus
o-dinitrocarboxylphenolChEBI
o-DNCPChEBI
DNSChEBI
Manual XrefsDatabases
C11319KEGG COMPOUND
3,5-Dinitrosalicylic acidWikipedia
Registry NumbersSources
Gmelin:5309Gmelin
Reaxys:2220661Reaxys
CAS:609-99-4KEGG COMPOUND
CAS:609-99-4ChemIDplus
CAS:609-99-4NIST Chemistry WebBook
Citations