Sodium 3-nitrobenzenesulphonate

Basic toxicokinetics

Administrative data

Endpoint:

basic toxicokinetics

Type of information:

other: Weight of evidence

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Data source

Reference

Reference Type:

other: Weight of evidence

Title:

Toxicokinetics

Author:

Sustainability Support Services (Europe) AB

Year:

2013

Bibliographic source:

Based on the weight of evidence of various phys chem and bioaccumulative parameters in the dossier

Materials and methods

Objective of study:

toxicokinetics

Test guideline

Qualifier:

no guideline available

Principles of method if other than guideline:

Based on the weight of evidence of various phys chem and bioaccumulative parameters in the dossier

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

Sodium 3-nitrobenzenesulphonate

EC Number:

204-857-3

EC Name:

Sodium 3-nitrobenzenesulphonate

Cas Number:

127-68-4

Molecular formula:

C6H5NO5S.Na

IUPAC Name:

sodium 3-nitrobenzenesulphonate

Test material form:

solid

Details on test material:

- Name of test material : Sodium 3-nitrobenzenesulphonate
- Molecular formula : C6H4NNaO5S
- Molecular weight : 225.1556 g/mol
- Smiles notation : c1(cc(ccc1)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
- InChl : 1S/C6H5NO5S.Na/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1
- Substance type : Organic
- Physical state : Solid

Radiolabelling:

not specified

Test animals

Species:

other: unspecified

Strain:

not specified

Sex:

not specified

Administration / exposure

Route of administration:

other: estimation

Vehicle:

unchanged (no vehicle)

Results and discussion

Toxicokinetic / pharmacokinetic studies

Details on absorption:

The absorption possibility of sodium 3-nitrobenzenesulphonate particles through the inhalation route is unlikely since the chemical has a particle size distribtuion that ranges from 75 to 600 micrometer. This does not constitute inhalable particulate size which ranges from 2.5 to less than 10 micrometer. However, the vapour pressure of the chemical can result in some exposure by the inhalation route.
The absorption through the oral route will also be low given the use of this chemical as an antireduction agent with use in chemical, electrical/electronics, photographic, and textile processing industries. Also, absorption through the dermal route is expected to be moderate (Predicted data).

Details on distribution in tissues:

The absorbed sodium 3-nitrobenzenesulphonate is expected to be distributed through the blood and lipids to various parts of the body given its solubility in water as well as organic solvents. However, it shall not be accumulated in the body due to the fact that the substance has low BCF value (3.2). After distribution, if the chemical is not accumulated in the body it is most likely to be excreted out of the living system.

Details on excretion:

It is expected that sodium 3-nitrobenzenesulphonate shall be excreted unchanged (given the Log Kow value of - 1.292) through urine and feaces. The molecular weight of the chemical is 225.15 which is also suggestive of excretion via the urinary route.

Metabolite characterisation studies

Metabolites identified:

no

Details on metabolites:

There is no information available on the metabolism of sodium 3-nitrobenzenesulphonate in humans and animals. However, considering the Log Kow value of - 1.292, it can be assumed that the chemical shall not be bio-available and therefore unlikely to be metabolized.

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): other: Bio-accumulation potential of sodium 3-nitrobenzenesulphonate appears to be low
In the absence of toxico-kinetic data for humans and animals for the chemical sodium 3-nitrobenzenesulphonate; certain physico-chemical and other properties that shall influence the absorption, distribution, bio-transformation and elimination out of the living systems have been considered for evaluating the toxico-kinetics.
From the available information, it appears that the bioaccumulation potential of sodium 3-nitrobenzenesulphonate is expected to be low.

Executive summary:

Given the lack of data on the toxico-kinetics ofsodium 3-nitrobenzenesulphonate; the toxico-kinetic behaviour has been predicted considering the physico-chemical and other properties that shall influence the absorption, distribution, bio-transformation and elimination out of the living systems. The key properties have been mentioned in the table below

Property	127-68-4 (sodium 3-nitrobenzenesulphonate)
Physical state	Solid
Vapor Pressure (hPa at 25oC)	10.3 Pa at 25^oC
Water Solubility (mg/L)	4200 mg/L at 23^oC
Log Kow	-1.292 at 23^oC
Rapid Biodegradation	Readily bio-degradable in water
Bio-concentration factor BCF	3.2
Dermal absorption mg/cm2/event (Source: DEPA)	0.005 (moderate)