Record Information
Creation date2010-04-08 22:11:50 UTC
Update date2019-11-26 03:11:35 UTC
Primary IDFDB015435
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium nitrite
DescriptionNitrous acid, also known as NANO2 or natrium nitrit, belongs to the class of inorganic compounds known as alkali metal nitrites. These are inorganic compounds in which the largest oxoanion is nitrite, and in which the heaviest atom not in an oxoanion is an alkali metal. Nitrous acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Nitrous acid has been detected, but not quantified in, fishes. This could make nitrous acid a potential biomarker for the consumption of these foods. Nitrous acid is a potentially toxic compound.
CAS Number7632-00-0
Natrium nitritChEBI
Nitrite de sodiumChEBI
Nitrito sodicoChEBI
Nitrite, sodiumMeSH
Nitrous acid, sodium saltbiospider
Nitrous acid, sodium salt (1:1)biospider
Nitrous acid, sodium salt, 8CIdb_source
Predicted Properties
pKa (Strongest Acidic)3.32ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area52.49 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity7.6 m³·mol⁻¹ChemAxon
Polarizability2.44 ųChemAxon
Number of Rings0ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaNNaO2
IUPAC namesodium nitrite
InChI IdentifierInChI=1S/HNO2.Na/c2-1-3;/h(H,2,3);/q;+1/p-1
Isomeric SMILES[Na+].[O-]N=O
Average Molecular Weight68.9953
Monoisotopic Molecular Weight68.982672924
Description belongs to the class of inorganic compounds known as alkali metal nitrites. These are inorganic compounds in which the largest oxoanion is nitrite, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal nitrites
Direct ParentAlkali metal nitrites
Alternative Parents
  • Alkali metal nitrite
  • Inorganic nitrite
  • Inorganic sodium salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionN 20.30%; Na 33.32%; O 46.38%DFC
Melting PointMp 271°DFC
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-014i-9000000000-9f30cf5313b48e1993c8JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-1ee624a65c08dcecac9bJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-5e2e92773f3c17549130JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-9000000000-a87ee670e6d73d57a26bJSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID24269
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDKBZ48-Z:KBZ48-Z
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDSodium_nitrite
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
MSDSNot Available
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference