2-((E)-(4-((4-(1,3-dioxo-1,3-dihydro-2H-hetereocarbapolycyclo-2-yl)alkyl)(ethyl)amino)-2-methyl)diazenyl)-5-nitro-1,3-dicarbonitrile, polyphenyl

Explosiveness

Administrative data

Endpoint:

explosiveness

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2008-08-28

Reliability:

1 (reliable without restriction)

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2008

Report date:

2008

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

other: UN Recommendations on the Transport of Dangerous Goods (Manual of Tests and Criteria, Fourth revised edition, 2003, Appendix 6, “Orange Book”)

Deviations:

no

GLP compliance:

no

Remarks:

not mandatory

Test material

Reference

Name:

Unnamed

Type:

Constituent

Details on test material:

- Name of the test material (as cited in the study report: FAT 40842/A TE
- Substance type: coloring dye
- Physical state: solid, dark bluish green powder
- Analytical purity: 96%
- Lot/batch No.: Blau DRI 2098 Op 1/07
- Expiration date of the lot/batch: June 30, 2014
- Storage condition of test material: at room temperature at about 20 ºC

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:

negative (not further specified)

Any other information on results incl. tables

Reactive Groups

The appraisal of the molecular structure indicates that the molecule contains an Azo- and an Nitro group which might be associated with explosive properties according to the UN Recommendations and the Handbook of Reactive Chemical Hazards1. Other chemical groups associated with explosive properties as compiled in these documents are not present. In absence of other criteria or in case of reasonable doubt with respect to rapid decomposition, this finding would lead to the recommendation for experimental testing.

Oxygen Balance

The oxygen balance can only be estimated roughly based on the equation given in the UN Recommendations as FAT 40842/A TE contains other elements than CHO (especially a large number of nitrogen atoms) a. Taking carbon and hydrogen into consideration only and based on an empirical molecular formula of C29H25N7O4 with a molecular weight of 535.6, the oxygen balance is -198.7 above –200. In absence of other criteria or in case of reasonable doubt with respect to possible rapid decomposition of the test substance, experimental testing might be necessary.

Calorimetric Tests

The exothermic decomposition energy was determined using Differential Scanning Calorimetry in a closed, gold plated high pressure vessel (DSC). The calorimetric test is of special importance for the evaluation of compounds containing chemical groups associated with explosive properties (see "Reactive Groups). Two flat peaks were detected between room temperature and 500 °C. The total of their decomposition energy (ΔHDec determined between room temperature and 500 °C) was found to be about 359.03 J/g, thus being significantly below the UN limit of 500 J/g. The onset point of the first exothermic peak was at about 245.69 °C.

Applicant's summary and conclusion

Conclusions:

FAT 40842lA TE is not a potential explosive and does not have a potential for rapid energy release.

Executive summary:

Applying the internationally recognised UN Recommendation criteria, FAT 40842lA TE is not to be classified as explosive material and no experimental determination according to the EC test guideline A. 14 has to be performed.

The result of the calorimetric test is considered relevant for this substance as the compound does contain chemical groups associated with explosive properties. The total of their decomposition energy (AHo,, determined between room temperature and 500 OC) was found to be about 359.03 Jlg, thus being significantly below the UN limit of 500 Jlg. The result of item 3.2 (oxygen balance) is not considered relevant for this substance as the substance is not adequately characterised by taking into account carbon, hydrogen and oxygen only and omitting nitrogen.

Thus it can be concluded beyond a reasonable doubt, that FAT 40842lA TE is not a potential explosive and does not have a potential for rapid energy release. Nevertheless, this judgement is in respect to classification; it does not necessarily mean that any processing hazards can be discounted.