Reaction mass of Trisodium 4-({4-chloro-6-[(4-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzenesulfonate and Trisodium 4-({4-chloro-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl}amino)-2-{[1-ethyl-2-hydroxy-4-methyl-6-oxo-5-(sulfonatomethyl)-1,6-dihydropyridin-3-yl]diazenyl}benzenesulfonate

Explosiveness

Link to relevant study record(s)

Reference

Endpoint:

explosive properties of explosives

Type of information:

other: Expert statement

Adequacy of study:

key study

Study period:

Expert statement date - 05 November 2015

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

other: Expert statement

Qualifier:

no guideline required

Principles of method if other than guideline:

Expert statement

GLP compliance:

no

Specific details on test material used for the study:

Name: FAT 40000

Key result

Parameter:

other: The calculated chemical oxygen balance is above the trigger value of -200, but the determination of the exothermic decomposition energy demonstrated an energy release far below the critical value of 500 J/g.

Remarks on result:

not measured/tested

Screening evaluation

No experimental test data according to EU Method A.14 or comparable methods for Reactive Yellow 095 are available.

Considering that explosive properties are associated with the presence of certain chemical groups in the molecule, a screening evaluation can be conducted aimed to identify the presence of such reactive groups within the molecular structure harvesting the capability for a rapid high energy release.

According to CLP Regulation examples of groups which may indicate explosive properties are:

-         C-C unsaturation (e.g. acetylenes, acetylides, 1,2-dienes);

-         C-Metal, N-Metal (e.g. Grignard reagents, organo-lithium compounds);

-         Contiguous nitrogen atoms (e.g. azides, aliphatic azo compounds, diazonium salts, hydrazines, sulphonylhydrazides);

-         Contiguous oxygen atoms (e.g. peroxides, ozonides);

-         N-O (e.g. hydroxyl amines, nitrates, nitro compounds, nitroso compounds, N-oxides, 1,2-oxazoles);

-         N-halogen (e.g. chloramines, fluoroamines);

-         O-halogen (e.g. chlorates, perchlorates, iodosyl compounds).

Analysis of the above depicted molecular structure revealed that one azo group representing a chemical alert structure for explosive properties is present in the molecule.

Calculation of the oxygen balance according to the above mentioned formula is -106.38 and therefore higher than the trigger value of -200.

Determination of the exothermic decomposition energy

In order to assess if the substance Reactive Yellow 095 possesses the potential to rapidly release huge amounts of energy a thermal analysis (Differential Scanning Calorimetry) has been performed at the Analytical Department Huntsman Textile Effects (Germany) GmbH.

The curve displays one exothermic peak between 300 °C and 350 °C with a total energy release of 98.46 J/g which is considered to represent substance decomposition. As a result, the overall energy release is below a critical trigger level of 500 J/g and the onset of energy release is below 500 °C.

Interpretation of results:

GHS criteria not met

Conclusions:

In summary, analysis of the chemical structure reveals one azo groups representing a chemical alert structure for explosive properties is present in the molecule. The calculated chemical oxygen balance is above the trigger value of -200, but the determination of the exothermic decomposition energy demonstrated an energy release far below the critical value of 500 J/g. Therefore the substance is considered to be non-explosive according to Directive 67/548/EEC and Regulation (EC) 1272/2008 and no further testing is required.

Executive summary:

No experimental test data according to EU Method A.14 or comparable methods for Reactive Yellow 095 are available. Considering that explosive properties are associated with the presence of certain chemical groups in the molecule, a screening evaluation can be conducted aimed to identify the presence of such reactive groups within the molecular structure harvesting the capability for a rapid high energy release.

Analysis of the molecular structure revealed that one azo group representing a chemical alert structure for explosive properties is present in the molecule. Calculation of the oxygen balance according to the above mentioned formula is -106.38 and therefore higher than the trigger value of -200.

During the determination of the exothermic decomposition energy, a curve displaying one exothermic peak was spotted between 300 °C and 350 °C with a total energy release of 98.46 J/g which is considered to represent substance decomposition. As a result, the overall energy release is below a critical trigger level of 500 J/g and the onset of energy release is below 500 °C.

In summary, analysis of the chemical structure reveals one azo groups representing a chemical alert structure for explosive properties is present in the molecule. The calculated chemical oxygen balance is above the trigger value of -200, but the determination of the exothermic decomposition energy demonstrated an energy release far below the critical value of 500 J/g. Therefore, the substance is considered to be non-explosive according to Directive 67/548/EEC and Regulation (EC) 1272/2008 and no further testing is required.

Description of key information

The substance is considered to be non-explosive according to Directive 67/548/EEC and Regulation (EC) 1272/2008.

Key value for chemical safety assessment

Explosiveness:

non explosive

Additional information

No experimental test data according to EU Method A.14 or comparable methods for Reactive Yellow 095 are available. Considering that explosive properties are associated with the presence of certain chemical groups in the molecule, a screening evaluation can be conducted aimed to identify the presence of such reactive groups within the molecular structure harvesting the capability for a rapid high energy release.

Analysis of the molecular structure revealed that one azo group representing a chemical alert structure for explosive properties is present in the molecule. Calculation of the oxygen balance according to the above mentioned formula is -106.38 and therefore higher than the trigger value of -200.

During the determination of the exothermic decomposition energy, a curve displaying one exothermic peak was spotted between 300 °C and 350 °C with a total energy release of 98.46 J/g which is considered to represent substance decomposition. As a result, the overall energy release is below a critical trigger level of 500 J/g and the onset of energy release is below 500 °C.

In summary, analysis of the chemical structure reveals one azo groups representing a chemical alert structure for explosive properties is present in the molecule. The calculated chemical oxygen balance is above the trigger value of -200, but the determination of the exothermic decomposition energy demonstrated an energy release far below the critical value of 500 J/g. Therefore, the substance is considered to be non-explosive according to Directive 67/548/EEC and Regulation (EC) 1272/2008 and no further testing is required.

Justification for classification or non-classification

In accordance with Column 2 of section 7.11 of REACH Annex VII, the full study has not been conducted as there are no chemical groups associated with explosive properties present in the substance.