Disodium 2,2'-[(9,10-dihydro-9,10-dioxo-1,4-anthrylene)diimino]bis[3-bromo-5-butyltoluene-4-sulphonate]

Oxidising properties

Link to relevant study record(s)

Reference

Endpoint:

oxidising solids

Type of information:

other: Structural assessment

Adequacy of study:

key study

Study period:

Not specified

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

study well documented, meets generally accepted scientific principles, acceptable for assessment

Qualifier:

no guideline followed

Principles of method if other than guideline:

The oxidising properties of the test material were investigated with a structural assessment. The test material was examined for structural groups which were indicative of oxidising properties and the oxygen balance was also calculated.

GLP compliance:

no

Remarks:

No laboratory work was performed, GLP is therefore not required.

Specific details on test material used for the study:

- Oxygen balance value: -148.78

Key result

Sample tested:

other: test material

Parameter:

other: structural assessment

Remarks on result:

other: The test material is deemed not to be potentially oxidising, based on the structure and oxygen balance values

STRUCTURAL GROUP EVALUATION (Present in the test material = yes or no)

- Peroxides: R-C(O)-O-O-C(O)-R = No

- Nitrates (salts or esters): NO3- M+ , O2N-O-R = No

- Nitrites (salts or esters): NO2- M+, , ON-O-R = No

- Organic nitro compounds = No

- Nitroalkyl: NO2-R = No

- Nitroaryl: NO2-Ar = No

- Fluorodinitro: F(NO2)2-C- =No

- Metal oxides: MOn = No

- Metal oxometallates: M+ MOn- = No

- N-Halogen compounds: N-X = No

- N-Haloimides: -C(O)-NX-C(O)- = No

- Difluoroamino: .-NF2 = No

- Difluoroaminopolynitroaryl: (NO2)n-Ar-NF2 = No

- Oxohalogen compounds = No

- Acyl hypohalites: RC(O)-OX = No

- Hypofluorites: FO- = No

- Bis(fluoroxy)perhaloalkanes: F3CCl(OF)2 etc = No

- Perchlorates: ClO4- = No

- Chlorates: ClO3- = No

- Chlorites: ClO2- = No

- Hypochlorites: ClO- = No

- Perbromates: BrO4- = No

- Bromates: BrO3- = No

- Bromites: BrO2- = No

- Hypobromites: BrO- = No

- Periodates: IO4- = No

- Iodates: IO3- = No

- Difluoroperchloryl salts: F2ClO2+ Z- = No

- Dioxygenyl polyfluorosalts: O2 + [MFn]- or O2+ [EFn]- = No

- Interhalogen compounds = No

- Metal polyhalohalogenates: M+ [XX'n]- = No

 

Based on structural groups, the test material is not potentially oxidising.

 

OXYGEN BALANCE (OB) CALCULATOR

OB % = (-1600 / Mol.wt of test material) x (2X + (Y/2) + M-Z)

X = number of atoms of carbon, Y = number of atoms of hydrogen, Z = number of atoms of oxygen, and M = number of atoms of metal (metallic oxide produced).

 

From Molecular Formula	No. of atoms	Atomic weight	Total Molecular Mass
Carbon	36	12.011	432.396
Hydrogen	34	1.0079	34.2686
Oxygen	8	15.9994	127.9952
Nitrogen	2	14.0067	28.0134
Sulphur	2	32.06	64.12
Fluorine	0	18.998403	0
Chlorine	0	35.453	0
Bromine	2	79.904	159.808
Iodine	0	126.9045	0
Phosphorus	0	30.97376	0
Sodium	2	22.99	45.98

 

Substance molecular weight = 892.5812

Oxygen Balance (%) = -148.78

Potentially Oxidising based on positive OB? = No

Interpretation of results:

other: Not classified in accordance with EU Criteria

Conclusions:

The test material is deemed not to be potentially oxidising, based on the structure and oxygen balance values.

Executive summary:

The oxidising properties of the test material were investigated with a structural assessment. The test material was examined for structural groups which were indicative of oxidising properties and the oxygen balance was also calculated.

The substance contains no structural indications of propensity to cause oxidation, and the oxygen balamce is not indicative of excess oxygen.

Based on the structure and oxygen balance values the substance is deemed not to be potentially oxidising.

Description of key information

Based on the structure and oxygen balance values the substance is deemed not to be potentially oxidising.

Key value for chemical safety assessment

Oxidising properties:

non oxidising

Additional information

The oxidising properties of the test material were investigated with a structural assessment. The test material was examined for structural groups which were indicative of oxidising properties and the oxygen balance was also calculated. The study was awarded a reliability score of 2 in accordance with the criteria set forth by Klimisch et al. (1997).

The substance contains no structural indications of propensity to cause oxidation, and the oxygen balamce is not indicative of excess oxygen.

Based on the structure and oxygen balance values the substance is deemed not to be potentially oxidising.

Justification for classification or non-classification

In accordance with the criteria for classification as defined in Annex I, Regulation (EC) No 1272/2008, the substance does not require classification with respect to oxidising properties.