ContaminantDB: SODIUM HYDROSULFITE

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

Record Information

Version

1.0

Creation Date

2016-05-19 02:26:33 UTC

Update Date

2016-11-09 01:09:56 UTC

Accession Number

CHEM007508

Identification

Common Name

SODIUM HYDROSULFITE

Class

Small Molecule

Description

An inorganic sodium salt that is the disodium salt of dithionous acid.

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
Sodium hydrosulfite	ChEBI
Sodium sulfoxylate	ChEBI
Sodium hydrosulphite	Generator
Sodium sulfoxylic acid	Generator
Sodium sulphoxylate	Generator
Sodium sulphoxylic acid	Generator
Dithionite	MeSH
Dithionite, sodium	MeSH
Hyposulfite	MeSH

Chemical Formula

Na₂O₄S₂

Average Molecular Mass

174.107 g/mol

Monoisotopic Mass

173.903 g/mol

CAS Registry Number

7775-14-6

IUPAC Name

disodium sulfinatosulfinate

Traditional Name

disodium dithionite

SMILES

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

InChI Identifier

InChI=1S/2Na.H2O4S2/c;;1-5(2)6(3)4/h;;(H,1,2)(H,3,4)/q2*+1;/p-2

InChI Key

JVBXVOWTABLYPX-UHFFFAOYSA-L

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as alkali metal dithionites. These are inorganic compounds in which the largest oxoanion is dithionite, 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 dithionites

Direct Parent

Alkali metal dithionites

Alternative Parents

Substituents

Alkali metal dithionite
Inorganic sodium salt
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

inorganic sodium salt (CHEBI:66870 )

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	-1.5	ChemAxon
pKa (Strongest Acidic)	-3.5	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	80.26 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	17.28 m³·mol⁻¹	ChemAxon
Polarizability	8.41 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	splash10-00di-0900000000-7326424b04aa21796322	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00di-0900000000-61ecabcc0ff2cc72aafa	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-00di-9200000000-15f65350f51e8677ecc6	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

HMDB0303398

FooDB ID

FDB012995

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

Chemspider ID

ChEBI ID

PubChem Compound ID

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

SODIUM HYDROSULFITE (CHEM007508)

Structure for CHEM007508: SODIUM HYDROSULFITE