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Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:

On the basis of physical observation and using the sense of smell, 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was determine to be a solid.

Melting point:

Based on prediction done using MPBPVP v1.43,the melting point of 4-[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl] -5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was  estimated to be 350 Deg C.

Boiling Point:

Based on prediction done using MPBPVP v1.43,the Boiling point of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl] -5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was  estimated to be 1160 Deg C.

Density:

Based on prediction done using ACD/I-Lab 2.0, the density of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was estimated to be 1.95 g/cm3 at 20 Deg C.

Particle size distribution:

The particle size distribution of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.

Vapour pressure:

The estimated vapour pressure of 4-[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid at 25 deg C was 1.177E-36 Pa

Partition coefficient

Based on the available data from modeling database, the partition coefficient (log Pow) value of the substance 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen -1 -yl]-5-oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was estimated to be -3.837±1.029 at 25°C. On the basis of the estimated value, chemical 4-[(E)-2-(5-{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]amino}-2-sulfophenyl)diazen-1-yl]-5-oxo- 1-(4-sulfophenyl)- 4,5-dihydro -1H-pyrazole-3-carboxylic acid can be considered to be hydrophilic in nature.

Water solubility:

The estimated water solubility of 4-[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid at 25 deg C was 1000000 mg/l.

Surface tension:

In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. 4-[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)-4,5 -dihydro-1H-pyrazole-3 -carboxylic acid (93858 -25 -4) is used as a dye. For this use, surface activity is not an important property. Hence this study was considered for waiver.

Flash point:

The flash point of4-[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid  is greater than 350 °C at 979.1 hPa.

Auto flammability:

4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid is not auto-flammable.

Flammability:

4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic 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 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was considered non-flammable for chemical safety assessment.

Explosiveness:

The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties.

Oxidizing properties:

The study does not need to be conducted because the substance is a solid.

Additional information

Appearance:

On the basis of physical observation and using the sense of smell, 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was determine to be a solid.

Melting point:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was predicted.

The melting point of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was estimated to be 350˚C.

Boiling Point:

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl] -5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was predicted.

The boiling point of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl] -5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was estimated to be 1160 ˚C.

Density:

Based on prediction done using ACD/I-Lab 2.0, the density of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was estimated to be 1.95 g/cm3 at 20 Deg C.

Particle size distribution:

The particle size distribution of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.

Vapour pressure:

Modified Grain method was used to estimate the vapour pressure of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid at 25 deg C was 1.177E-36 Pa.

Partition coefficient

Based on the available data from modeling database, the partition coefficient (log Pow) value of the substance 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen -1 -yl]-5-oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was estimated to be -3.837±1.029 at 25°C. On the basis of the estimated value, chemical 4-[(E)-2-(5-{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4-tetrahydro-1,3,5-triazin-2-ylidene]amino}-2-sulfophenyl)diazen-1-yl]-5-oxo- 1-(4-sulfophenyl)- 4,5-dihydro -1H-pyrazole-3-carboxylic acid can be considered to be hydrophilic in nature.

Water solubility:

WSKOW v1.42 was used to estimate the water solubility of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid.

The estimated water solubility of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid at 25 deg C was 1000000 mg/l.

Based on the estimated value, 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was very soluble in water.

Surface tension:

In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. 4-[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)-4,5 -dihydro-1H-pyrazole-3 -carboxylic acid (93858 -25 -4) is used as a dye. For this use, surface activity is not an important property. Hence this study was considered for waiver.

Flash point:

The flash point determination of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid (CAS No. 93858 -25 -4) was done as per the test guideline OECD 103. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flash point of 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was concluded to be greater that 350°C at 979.1 hPa.

Auto flammability:

4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid is not auto-flammable.

Flammability:

4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic 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 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 4 -[(E)-2 -(5 -{[(2Z,4E)-6 -chloro-4 -[(3 -sulfophenyl)imino]-1,2,3,4 -tetrahydro-1,3,5 -triazin-2 -ylidene]amino}-2 -sulfophenyl)diazen-1 -yl]-5 -oxo-1 -(4 -sulfophenyl)- 4,5 -dihydro -1H-pyrazole-3 -carboxylic acid was considered non-flammable for chemical safety assessment.

Explosiveness:

The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with explosive properties.

Oxidizing properties:

The study does not need to be conducted because the substance is a solid.