Custom Blue #1

Explosiveness

Administrative data

Endpoint:

explosiveness

Type of information:

other: Statement

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

other: The EU method was followed. Based on the molecular structure, a statement rather than a full study was considered sufficient to cover this endpoint.

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2008

Report date:

2008

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.14 (Explosive properties)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Test material

Reference

Name:

Unnamed

Type:

Constituent

Details on test material:

- Physical state: Blue solid lumps
- Stability under test conditions: Stable
- Storage condition of test material: at room temperature in the dark

Results and discussion

Small-scale preliminary tests

Small-scale preliminary tests 1

Parameter:

other: More sensitive to shock than m-dinitrobenzene

Remarks:

migrated information

Remarks on result:

not measured/tested

Small-scale preliminary tests 2

Parameter:

other: More sensitive to friction than m-dinitrobenzene

Remarks:

migrated information

Remarks on result:

not measured/tested

Small-scale preliminary tests 3

Parameter:

other: Explosive under influence of flame

Remarks:

migrated information

Remarks on result:

not measured/tested

Small-scale preliminary tests 4

Parameter:

other: Explosive (not specified)

Remarks:

migrated information

Remarks on result:

negative (not further specified)

Any other information on results incl. tables

The molecular structure of the test substance does not contain any chemically instable or highly energetic groups that might lead to an explosion. The impurities, present for =< 0.5% in the test substance, were not taken into account but it is not to be expected that these have any influence.

Oxygen balance

The oxygen balance of a compound is the difference between the oxygen content of the compound and that required to fully oxidize the carbon, hydrogen and other oxidisable elements to carbon dioxide, water, etc. Nitrogen is not considered oxidisable and is usually liberated as the gaseous element during explosive decomposition.

The oxygen balance is calculated for the chemical reaction:

CcHhOo + [c + (h/4) – (o/2)] O₂ → c CO₂ + (h/2) H₂O

where c, h and o are the amounts of carbon, hydrogen and oxygen atoms respectively.

Oxygen balance (%) = -1600 x [2 x c + (h/2) – o] / molecular weight

If there is a deficiency of oxygen, the balance is negative, while an excess of oxygen gives a positive balance. Compounds with a positive balance can act as oxidants and are often explosive in nature. However, there are known explosives with an oxygen balance of –64%. Compounds with an oxygen balance which is more negative than –200% are not considered to pose an explosive risk.

Using C₁₁₆H₁₅₂CuN₈O₄ as molecular formula and 1786.08 g/mol as molecular weight, the oxygen balance for the test substance was calculated to be –272%. This value is outside the region where there may be a potential for explodability.

Applicant's summary and conclusion

Conclusions:

The test substance is non-explosive.