3-(2-{4-[2-(4-cyanophenyl)vinyl]phenyl}vinyl)benzonitrile

Explosiveness

Link to relevant study record(s)

Reference

Endpoint:

explosive properties of explosives

Type of information:

calculation (if not (Q)SAR)

Adequacy of study:

key study

Study period:

2000

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: oxygen balance: UN recommandation for transport

GLP compliance:

no

Parameter:

other: Explosive (not specified)

Remarks:

migrated information

Remarks on result:

negative (not further specified)

Remarks:

not to be classified

None

Interpretation of results:

non explosive

Remarks:

Migrated information

Conclusions:

FAT 60253/A is not to be classified as explosive material

Executive summary:

The explosive properties of FAT 60253/A were estimated based on the UN Recommendations on the Transportation of Dangerous Goods where a set of criteria is compiled to judge the risk of explosion.

1. Reactive Groups:

The appraisal of the molecular structure indicates no risk of rapid decomposition. FAT 60253/A does not contain any of the structural features mentioned in the UN Recommendations. The occurrance of other chemical groups associated with explosive properties as described in the literature was also considered. No such groups were present. There are aromatic and unsaturated -CH=CH- structures in the molecule but no acetylenic compounds.

2. Oxygen Balance:

The oxygen balance only was estimated roughly based on the equation given in the UN Recommendations as FAT 60253/A contains other elements than CHO. Taking these three elements into consideration only (omitting two nitrogen atoms), the oxygen balance is below -200. An oxygen balance of -211 was calculated for the hypothetic formular of C24H16Oo

3. Calorimetric Tests: high pressure

The exothermic decomposition energy was determined using Differential Scanning Calorimetry in a closed, gold plated crucible (DSC). There was no exothermic peak found. Thus, the decomposition energy does not exceed the UN limit of 500 J/g.

Conclusion:

Based on Items 1 to 3 as outlined above, FAT 60253/A is not to be classified as explosive material and no experimental determination according to the EC test guideline A. 14 has to be performed. This judgement is in respect to classification; it does not necessarily mean that any processing hazards can be discounted.

Description of key information

FAT 60253/A is not to be classified as explosive material.

Key value for chemical safety assessment

Explosiveness:

non explosive

Additional information

The explosive properties of FAT 60253/A were estimated based on the UN Recommendations on the Transportation of Dangerous Goods where a set of criteria is compiled to judge the risk of explosion.

1. Reactive Groups:

The appraisal of the molecular structure indicates no risk of rapid decomposition. FAT 60253/A does not contain any of the structural features mentioned in the UN Recommendations. The occurrance of other chemical groups associated with explosive properties as described in the literature was also considered. No such groups were present. There are aromatic and unsaturated -CH=CH- structures in the molecule but no acetylenic compounds.

2. Oxygen Balance:

The oxygen balance only was estimated roughly based on the equation given in the UN Recommendations as FAT 60'253/A contains other elements than CHO. Taking these three elements into consideration only (omitting two nitrogen atoms), the oxygen balance is below -200. An oxygen balance of -211 was calculated for the hypothetic formula of C24H16Oo

3. Calorimetric Tests: high pressure

The exothermic decomposition energy was determined using Differential Scanning Calorimetry in a closed, gold plated crucible (DSC). There was no exothermic peak found. Thus the decomposition energy does not exceed the UN limit of 500 J/g.

Conclusion:

Based on Items 1 to 3 as outlined above, FAT 60253/A is not to be classified as explosive material and no experimental determination according to the EC test guideline A.14 has to be performed. This judgement is in respect to classification; it does not necessarily mean that any processing hazards can be discounted.

Justification for classification or non-classification

FAT 60253/A is not to be classified as explosive material and no experimental determination according to the EC test guideline A. 14 has to be performed. This judgement is in respect to classification; it does not necessarily mean that any processing hazards can be discounted.