ContaminantDB: SODIUM SULFITE

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 02:27:01 UTC

Update Date

2016-11-09 01:09:56 UTC

Accession Number

CHEM007531

Identification

Common Name

SODIUM SULFITE

Class

Small Molecule

Description

An inorganic sodium salt having sulfite as the counterion.

Contaminant Sources

EAFUS Chemicals
FooDB Chemicals
HPV EPA Chemicals
OECD HPV Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Anhydrous sodium sulfite	ChEBI
Dried sodium sulfite	ChEBI
Na2SO3	ChEBI
Natrium sulfurosum	ChEBI
Natriumsulfid	ChEBI
Sodium sulfite anhydrous	ChEBI
Sodium sulphite	ChEBI
Sulfurous acid, disodium salt	ChEBI
Anhydrous sodium sulphite	Generator
Dried sodium sulphite	Generator
Natrium sulphurosum	Generator
Natriumsulphid	Generator
Sodium sulphite anhydrous	Generator
Sulphurous acid, disodium salt	Generator
Sodium sulphite (na2SO3)	Generator
Sodium sulfite	Generator, KEGG
Sodium sulfite, 35S-labeled CPD	MeSH
Sodium sulfite, heptahydrate	MeSH
Sulfurous acid, sodium salt	MeSH

Chemical Formula

Na₂O₃S

Average Molecular Mass

126.043 g/mol

Monoisotopic Mass

125.936 g/mol

CAS Registry Number

7757-83-7

IUPAC Name

disodium sulfite

Traditional Name

disodium sulfite

SMILES

[Na+].[Na+].[O-]S([O-])=O

InChI Identifier

InChI=1S/2Na.H2O3S/c;;1-4(2)3/h;;(H2,1,2,3)/q2*+1;/p-2

InChI Key

GEHJYWRUCIMESM-UHFFFAOYSA-L

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as alkali metal sulfites. These are inorganic compounds in which the largest oxoanion is sulfite, and in which the heaviest atom not in an oxoanion is an alkali metal.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Alkali metal oxoanionic compounds

Sub Class

Alkali metal sulfites

Direct Parent

Alkali metal sulfites

Alternative Parents

Substituents

Alkali metal sulfite
Inorganic sodium salt
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

inorganic sodium salt (CHEBI:86477 )
sulfite salt (CHEBI:86477 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	-1.2	ChemAxon
pKa (Strongest Acidic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	63.19 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	10.08 m³·mol⁻¹	ChemAxon
Polarizability	5.1 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-0900000000-a14e64a9147d6654d929	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-1900000000-8b263ac0f6e86e519b6b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00bi-9600000000-41a87d644b6d8edb4c45	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0303520

FooDB ID

FDB015396

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Sodium_sulfite

Chemspider ID

22845

ChEBI ID

86477

PubChem Compound ID

Not Available

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

1. https://www.ncbi.nlm.nih.gov/pubmed/?term=25700864

2. https://www.ncbi.nlm.nih.gov/pubmed/?term=25760079

3. https://www.ncbi.nlm.nih.gov/pubmed/?term=25807904

4. https://www.ncbi.nlm.nih.gov/pubmed/?term=26114269

SODIUM SULFITE (CHEM007531)

Structure for CHEM007531: SODIUM SULFITE