sodium 3-[(2,3-dicyanophenyl)thio]propane-1-sulfonate

Oxidising properties

Administrative data

Endpoint:

oxidising solids

Type of information:

calculation (if not (Q)SAR)

Remarks:

Migrated phrase: estimated by calculation

Adequacy of study:

key study

Study period:

Study Experimental Phase 2013-05-10 to 2013-05-23. Report Complete 2013-06-18

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: As the study is an estimation by calculation rather than a full experimental study it is considered to meet the criteria for classification as reliable with restrictions according to Klimisch et al (1997).

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2013

Report date:

2013

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.17 (Oxidising Properties (Solids))

Deviations:

no

Principles of method if other than guideline:

Under COLUMN 2 “SPECIFIC RULES FOR ADAPTATION FROM COLUMN 1” in the REGULATION (EC) No 1907/2006 OF THE EUROPEAN PARLIAMENT AND OF THE COUNCIL of 18 December 2006, it states The study does not need to be conducted if: “the substance is incapable of reacting exothermically with combustible materials, for example on the basis of the chemical structure” accordingly “The structure of the test material was assessed for chemical groups that would imply oxidising properties. Examples of such groups are nitrates, metal oxides, hypofluorites, difluoroaminopolynitroaryls, perchlorates, bromates and iodites.”


The oxidising properties were predicted using Method A17 Oxidising Properties (Solids) of Commission Regulation (EC) No 440/2008 of 30 May 2008.

Based on the chemical structure the result for the oxidising properties has been predicted negative.

GLP compliance:

no

Test material

Test material information

Constituent 1

Reference substance name:

sodium 3-[(2,3-dicyanophenyl)thio]propane-1-sulfonate

EC Number:

940-667-3

Molecular formula:

C11H9N2NaO3S2

IUPAC Name:

sodium 3-[(2,3-dicyanophenyl)thio]propane-1-sulfonate

Test material form:

solid: particulate/powder

Remarks:

migrated information: powder

Results and discussion

Test results (Oxidising liquids)

Sample tested:

other: not specified (migrated information) Predicted negative based on the structure

Parameter:

other: Predicted negative based on the structure

Remarks on result:

other: result not specified (migrated information)

Remarks:

There are no structural alerts within the chemical structure of the test item that would indicate oxidising properties.

Test results (Oxidising solids)

Sample tested:

other: not specified (migrated information) Predicted negative based on the structure

Parameter:

other: Predicted negative based on the structure

Remarks on result:

other: result not specified (migrated information)

Remarks:

There are no structural alerts within the chemical structure of the test item that would indicate oxidising properties.

Any other information on results incl. tables

Based on the chemical structure of the test item the result for the oxidizing properties has been predicted negative.

Please see attached background material for the chemical structure.

Applicant's summary and conclusion

Interpretation of results:

other: no oxidising properties

Remarks:

Migrated information (based on the chemical structure)

Conclusions:

Based on the chemical structure of the test item the result for the oxidizing properties has been predicted negative.

Executive summary:

Introduction

This prediction was undertaken to predict the oxidizing properties of the test material. The procedure used was designed to be compatible with Method A17 Oxidising Properties (Solids) of Commission Regulation (EC) No 440/2008 of 30 May 2008.

Results & Conclusions

There were no structural alerts within the chemical structure of the test item therefore the result for the oxidizing properties of the test material has been predicted to be negative.