7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid

Endpoint summary

Description of key information

Appearance / physical state / colour

The appearance of 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid was observed as, solid organic compound.

Melting point/ Freezing point

Based on prediction done using MPBPVP v1.43, the melting point of chemical 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5 -triazin-2-yl)amino] phenyl]azo]naphthalene-1,3,6-trisulphonic acid was estimated to be 349.84 ˚C.

Boiling point

According to Column II of Annex VII of REACH regulation, the boiling point study does not need to be conducted because the substance 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid (CAS No.35642-64-9) is a solid at room temperature which also melts above 300°C. Hence, it is not feasible to determine boiling point of the substance and hence the endpoint was considered for waiver.

Density

The density of chemical 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6 -trisulphonic acid was estimated to be 2.07 ± 0.1 g/cm3, at 20 °C and 760 mmHg pressure.

Particle size distribution (Granulometry)

The particle size distribution of 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6 -trisulphonic acid was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 51 micron to 146 micron.

Vapour pressure

The estimated vapour pressure of the substance 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo] naphthalene-1,3,6-trisulphonic acid at 25 deg C was 3.72E-033 Pa.

Partition coefficient

Based on the available data from modeling databases using the KOWWIN V1.68 programme, octanol water partition coefficient (log Pow) value of the test substance 7 -[(E)-2 -{4 -[(4 -amino-6 -chloro-1,3,5 -triazin-2 -yl)amino]-2 -(carbamoylamino)phenyl}diazen-1 -yl]naphthalene-1,3,6 -trisulfonic acid was estimated to be -0.66. Thus, on the basis of logPow value, chemical 7 -[(E)-2 -{4 -[(4 -amino-6 -chloro-1,3,5 -triazin-2 -yl)amino]-2 -(carbamoylamino)phenyl}diazen-1 -yl]naphthalene-1,3,6 -trisulfonic acid can be considered to be hydrophilic in nature.

Water solubility

The estimated water solubility of substance 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo] naphthalene-1,3,6-trisulphonic acid at 25 deg C was 1000000 mg/l.

Surface tension

The surface tension for chemical 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo] naphthalene-1,3,6-trisulphonic acid was predicted to be 110.4 ± 7.0 dyne/cm.

Flash point

The study does not need to be conducted because the flash point is only relevant to low melting point solids, and the test chemical 7-[[2 -[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid has melting point is above 300°C i.e at 349.84°C, hence this study considerd to be waiver.

Autoflammability

7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6 -chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid is not auto-flammable.

Flammability

7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid was considered non-flammable for chemical safety assessment.

Explosiveness

Based on the screening procedure followed, the substance 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl] azo]naphthalene-1,3,6-trisulphonic acid (CAS No.- 35642-64-9) is considered to have marginal explosive properties and hence classified under explosive Division 1.6 based on CLP criteria.

Oxidising properties

The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidizing properties and hence the classification procedure does not need to be applied.

Additional information

Appearance / physical state / colour

Based on available data from obtained report, the appearance of 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid was observed as, solid organic compound.

Melting point/ Freezing point

Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid was predicted.

The melting point of chemical 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid was estimated to be 349.84 ˚C.

Boiling point

According to Column II of Annex VII of REACH regulation, the boiling point study does not need to be conducted because the substance 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid (CAS No.35642-64-9) is a solid at room temperature which also melts above 300°C. Hence, it is not feasible to determine boiling point of the substance and hence the endpoint was considered for waiver.

Density

Based on prediction done using ACD/I-Lab 2.0 and Scifinder, the density of chemical 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid was estimated to be 2.07 ± 0.1 g/cm3, at 20 °C and 760 mmHg pressure.

Particle size distribution (Granulometry)

The particle size distribution of 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6 -trisulphonic acid was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 51 micron to 146 micron.

Vapour pressure

Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the substance 7-[[2 -[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of the substance 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo] naphthalene-1,3,6-trisulphonic acid at 25 deg C was 3.72E-033 Pa.

Partition coefficient

Based on the available data from modeling databases using the KOWWIN V1.68 programme, octanol water partition coefficient (log Pow) value of the test substance 7 -[(E)-2 -{4 -[(4 -amino-6 -chloro-1,3,5 -triazin-2 -yl)amino]-2 -(carbamoylamino)phenyl}diazen-1 -yl]naphthalene-1,3,6 -trisulfonic acid was estimated to be -0.66. Thus, on the basis of logPow value, chemical 7 -[(E)-2 -{4 -[(4 -amino-6 -chloro-1,3,5 -triazin-2 -yl)amino]-2 -(carbamoylamino)phenyl}diazen-1 -yl]naphthalene-1,3,6 -trisulfonic acid can be considered to be hydrophilic in nature.

Water solubility

WSKOW v1.42 was used to estimate the water solubility of the substance 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid. The estimated water solubility of the test substance 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo] naphthalene-1,3,6-trisulphonic acid at 25 deg C was 1000000 mg/l.

Based on the estimated value, the substance 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo] naphthalene-1,3,6-trisulphonic acid was considered to be very soluble in water.

Surface tension

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid was predicted to be 110.4 ± 7.0 dyne/cm.

Flash point

The study does not need to be conducted because the flash point is only relevant to low melting point solids, and the test chemical 7-[[2 -[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid has melting point is above 300°C i.e at 349.84°C, hence this study considerd to be waiver.

Autoflammability

7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6 -chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid is not auto-flammable.

Flammability

7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid does not indicate any ignition when the flame of bunsen burner having temperature of approximately 950°C is brought in contact with it. Thus it can be concluded that 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid was considered non-flammable for chemical safety assessment.

Explosiveness

The screening procedure for explosive properties is based on the use of both theoretical considerations which is summarized as follows:

The substance 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6-trisulphonic acid (CAS: 35642 -64 -9) contains an azo group and triazine group; two of the alert groups for explosive properties. Thus, following the screening procedure, the oxygen balance was calculated. The molecular formula is C20H16ClN9O10S3 and the molecular weight is 674.0504. These give an oxygen balance of –90.200. This is more positive than the –200 threshold.

Further testing data is not available.

Thus, based on the screening procedure followed, the substance 7-[[2-[(aminocarbonyl)amino]-4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]phenyl]azo]naphthalene-1,3,6 -trisulphonic acid(CAS: 35642 -64 -9)is considered to have marginal explosive properties and hence classified under explosive Division 1.6 based on CLP criteria.

Oxidising properties

The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidizing properties and hence the classification procedure does not need to be applied.