EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73914 - 3,5-dinitrobenzoic acid

ChEBI IDCHEBI:73914
ChEBI Name3,5-dinitrobenzoic acid
Stars
DefinitionA member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 3 and 5 are replaced by nitro groups.
Last Modified4 June 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC7H4N2O6
Net Charge0
Average Mass212.117
Monoisotopic Mass212.00694
SMILESO=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
InChIInChI=1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)
InChIKeyVYWYYJYRVSBHJQ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3,5-dinitrobenzoic acid (CHEBI:73914) is a C-nitro compound (CHEBI:35716)
3,5-dinitrobenzoic acid (CHEBI:73914) is a benzoic acids (CHEBI:22723)
IUPAC Name 
3,5-dinitrobenzoic acid
Synonyms  Source
3-carboxy-1,5-dinitrobenzeneChemIDplus
DNBANIST Chemistry WebBook
dinitrobenzoic acidNIST Chemistry WebBook
3,5-DNBAChEBI
3,5-dinitrobenzenecarboxylic acidChEBI
Manual XrefsDatabases
3,5-Dinitrobenzoic_acidWikipedia
Registry NumbersSources
Reaxys:1914286Reaxys
CAS:99-34-3ChemIDplus
CAS:99-34-3NIST Chemistry WebBook