Benzenamine, 3,3'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis-

Explosiveness

Administrative data

Endpoint:

explosiveness

Type of information:

migrated information: read-across from supporting substance (structural analogue or surrogate)

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: The explosive properties of the substance were discussed by doing a read-across from supporting substances.

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: United Nations Recommendations on the Transport of Dangerous Goods, Manual of Tests Criteria

GLP compliance:

yes (incl. QA statement)

Remarks:

The Department of Health of the Government of the United Kingdom

Test material

Test material information

Constituent 1

Reference substance name:

3-{[4'-(3-aminophenoxy)-[1,1'-biphenyl]-4-yl]oxy}aniline

EC Number:

700-102-1

Cas Number:

105112-76-3

Molecular formula:

C24H20N2O2

IUPAC Name:

3-{[4'-(3-aminophenoxy)-[1,1'-biphenyl]-4-yl]oxy}aniline

Details on test material:

- Name of test material (as cited in study report): 3,3-(4,4-biphenylenedioxy)dianiline
- Physical state: Off-white powder
- Analytical purity: > 99 %
- Lot/batch No.: 20070501
- Expiration date of the lot/batch: 30 April 2008
- Storage condition of test material: Room temperature
- Other: Date of receipt 28 August 2007

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:

negative (not further specified)

Small-scale preliminary tests 2

Parameter:

other: More sensitive to friction than m-dinitrobenzene

Remarks:

migrated information

Remarks on result:

negative (not further specified)

Small-scale preliminary tests 3

Parameter:

other: Explosive under influence of flame

Remarks:

migrated information

Remarks on result:

negative (not further specified)

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

From an examination of the chemical structure of the test substance, it was concluded that it contained no functional groups which are characteristic of explosive properties.

Applicant's summary and conclusion

Conclusions:

From the assessment of the chemical structure of the test substance, it was established that the test substance, 3,3-(4,4-biphenylenedioxy)dianiline, would not have explosive properties.

Executive summary:

Using a theoretical consideration of the structure of the test substance, the explosive properties of 3,3-(4,4-biphenylenedioxy)dianiline were estimated. According to the United Nations Committee of Experts on the Transport of Dangerous Goods explosive properties are associated with the presence of certain chemical groups in a molecule which can react to produce a very rapid increase in temperature or pressure. Thus, it is possible to examine the chemical structure of a substance and ascertain whether or not there are any groups present that are associated with explosive properties. For this purpose a list of screening procedures has been published in Appendix 6 of the United Nations ‘Recommendations on the Transport of Dangerous Goods, Manual of Tests and Criteria’.

The test substance contained no functional groups which are characteristic of explosive properties including C-C unsaturation, C-Metal, N-Metal, Contiguous nitrogen atoms, Contiguous oxygen atoms, N-O, N-halogen, or O-halogen.

From the assessment of the chemical structure of the test substance, it was established that the test substance, 3,3-(4,4-biphenylenedioxy)dianiline, would not have explosive properties.