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Administrative data

Link to relevant study record(s)

Reference
Endpoint:
explosiveness, other
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13 October 2017 to 20 July 2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
EU Method A.14 (Explosive properties)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Specific details on test material used for the study:
- Purity: > 90%
- Description: Brown liquid
Key result
Parameter:
other: DSC
Remarks:
first exotherm (J/g)
Value:
270
Remarks on result:
other: unlikely to indicate explosive properties
Key result
Parameter:
other: DSC
Remarks:
second exotherm (J/g)
Value:
788
Remarks on result:
other: unlikely to indicate explosive properties
Key result
Parameter:
other: analysis of the chemical strucrure of the test material to calculate the oxygen balance
Remarks:
for C54H108Mo2N2 P2O3S5
Value:
-214.14
Remarks on result:
other: the value is below -200% which would not suggest explosive properties
Key result
Parameter:
other: analysis of the chemical strucrure of the test material to calculate the oxygen balance
Remarks:
for C54H108Mo2N2 P2OS7)
Value:
-211.53
Remarks on result:
other: the value is below -200% which would not suggest explosive properties

Differential Scanning Calorimetry

The DSC analysis gave two exotherms; the onset temperatures were 328 and 537°C respectively and energies of 270 and 788 J/g. The second exotherm was >500 J/g, but due to it being very broad is unlikely to indicate explosive properties, especially when the structural considerations discussed below are taken into account.

Oxygen Balance

It should be noted that the test substance has a variable amount of oxygen and sulfur . The explosive properties assessment has been based on the provided structural information only and information on the original materials used for preparation.

The provided structure does not have any explosophores associated with its structure.

As the test substance has variable composition with variable amount of oxygen and sulphur the oxygen balance was calculated for the range of different numbers of oxygen and sulphur atoms based on the most likely molecular formulas. The mean calculated oxygen balance ranged from -214.14(for C54H108Mo2N2 P2O3S5) to –211.53% (for C54H108Mo2N2 P2OS7).  These values are all below -200% which would not suggest explosive properties.  Based on the theoretical structural assessment and the DSC analysis, the test substance is not considered to have explosive properties.

Interpretation of results:
GHS criteria not met
Conclusions:
The test material does not exhibit explosive properties.
Executive summary:

The explosive properties of the test material were conducted in a study performed to the standardized guideline EU Test Method A.14., under GLP conditions. The explosive properties assessment has been based on the provided structural information only and information on the original materials used for preparation. The provided structure does not have any explosophores associated with its structure. As the test substance has variable composition with variable amounts of oxygen and sulphur the oxygen balance was calculated for the range of different numbers of oxygen and sulphur atoms based on the most likely molecular formulas. The mean calculated oxygen balance ranged from -214.14 to -211.53%. These values are all below -200% which would not suggest explosive properties. Based on the theoretical structural assessment and the DSC analysis, the test substance is not considered to have explosive properties. 

Description of key information

The explosive properties of the test material were conducted in a study performed to the standardized guideline EU Test Method A.14., under GLP conditions. The explosive properties assessment has been based on the provided structural information only and information on the original materials used for preparation. The provided structure does not have any explosophores associated with its structure. As the test substance has variable composition with variable amounts of oxygen and sulphur the oxygen balance was calculated for the range of different numbers of oxygen and sulphur atoms based on the most likely molecular formulas. The mean calculated oxygen balance ranged from -214.14 to -211.53%. These values are all below -200% which would not suggest explosive properties. Based on the theoretical structural assessment and the DSC analysis, the test substance is not considered to have explosive properties. 

Key value for chemical safety assessment

Explosiveness:
non explosive

Additional information

Justification for classification or non-classification