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

Explosiveness

Link to relevant study record(s)

Reference

Endpoint:

explosive properties of explosives

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 explosive potential of the test material was investigated with a structural assessment. The test material was examined for structural groups which are potentially highly reactive and the oxygen balance was also calculated.

GLP compliance:

no

Remarks:

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

Specific details on test material used for the study:

- Oxygen balance value: -148.78

Key result

Test series:

other: Structural assessment

Method:

other: Structural group evaluation and oxygen balance calculation

Parameter:

other: Structural groups and oxygen balance

Result:

other: Although the substance has an oxygen balance of >-200, the chemical structure contains no alerts for explosive potential. On this basis, the substance is predicted not to be explosive.

Remarks on result:

other: Not explosive

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

Inorganic and organic peroxides:-O-O- = No

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

Inorganic and organic Ozinides: -O-O-O- = No

Inorganic and organic chlorates:-OClO2 = No

Inorganic and organic perchlorates: -OClO3 = No

Where X is a halogen: -N-X2 = No

Inorganic and organic nitro compounds: R-ON=O, -ONO2 = No

Inorganic and organic nitroso compounds: R-N=O, R2-N-N=O = No

Azo:-N=N- = No

Diazo: R-N2 = No

Azides: -N=N=N- = No

Tetrazole: R-N=N-N=N-R = No

Triazene: R-N=N-N-R = No

Fulminates: .-C=N-O-M = No

Acetylene and metal acetylides: R-C≡C- , -C≡C-M = No

Metal alkyl: M-C = No

 

Based on structural groups the test material is not potentially explosive.

 

 

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 OB greater than -200% ? = Yes

Interpretation of results:

other: Not classified in accordance with EU Criteria

Conclusions:

The test material is deemed not to be potentially explosive, because although the substance has an oxygen balance of >-200, the chemical structure contains no alerts for explosive potential. On this basis, the substance is predicted not to be explosive.

Executive summary:

The explosive potential of the test material was investigated with a structural assessment. The test material was examined for structural groups which are potentially highly reactive and the oxygen balance was also calculated.

Although the substance has an oxygen balance of >-200, the chemical structure contains no alerts for explosive potential. On this basis, the substance is predicted not to be explosive.

Description of key information

The test material is deemed not to be potentially explosive, because although the substance has an oxygen balance of >-200, the chemical structure contains no alerts for explosive potential. On this basis, the substance is predicted not to be explosive.

Key value for chemical safety assessment

Explosiveness:

non explosive

Additional information

The explosive potential of the test material was investigated with a structural assessment. The test material was examined for structural groups which are potentially highly reactive 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).

Although the substance has an oxygen balance of >-200, the chemical structure contains no alerts for explosive potential. On this basis, the substance is predicted not to be explosive.

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 explosive properties.