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Physical & Chemical properties

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Appearance:

On the basis of physical observation and using the sense of smell, 4,5-dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was observed to be a solid.

Melting point:

Based on prediction done using MPBPVP v1.43, the melting point of 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]- 1-(4-sulphophenyl) -1H-pyrazole-3-carboxylic acid was estimated to be 349.84 Deg C.

Boiling Point:

Based on prediction done using MPBPVP v1.43, the Boiling point of 4,5-dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)- 1H-pyrazole-3 -carboxylic acid was  estimated to be 898.95 Deg C.

Density:

Based on prediction done using ACD/I-Lab 2.0,the density of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was estimated to be 1.83 g/cm3 at temperature 20 Deg C.

Particle size distribution:

The particle size distribution of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-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 25 micron.

Vapour pressure:

The estimated vapour pressure of 4,5-dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid at 25 deg C was 6.62E-26 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 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was estimated to be 1.83. Thus, on the basis of logPow value, chemical 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid can be considered to be hydrophilic in nature.

Water solubility:

The estimated water solubility of 4,5-dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid at 25 deg C was 349 mg/l.

Surface tension:

Based on the data from ACD labs, surface tension for 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was predicted to be 0.0896 N/m.

Flash point:

The flash point of 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid  is greater than 350°C at 980.9 hPa.

Auto flammability:

4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that  4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid is not auto-flammable.

Flammability:

4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-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 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-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 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-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, 4,5-dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was observed to be a solid.

Melting point:

Based on the prediction done using the EPI Suite MPVPBP V1.43,the melting point of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was predicted.

The melting point of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was estimated to be 349.84 ˚C.

Boiling Point:

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was predicted.

The boiling point of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was estimated to be 898.95 ˚C.

Density:

Based on prediction done using ACD/I-Lab 2.0,the density of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was estimated to be 1.83 g/cm3 at temperature 20 Deg C.

Particle size distribution:

The particle size distribution of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-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 25 micron.

Vapour pressure:

Modified Grain method was used to estimate the vapour pressure of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid at 25 deg C was 6.62E-26 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 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was estimated to be 1.83. Thus, on the basis of logPow value, chemical 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-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 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid.

The estimated water solubility of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid at 25 deg C was 349 mg/l.

Based on the estimated value, 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was moderately soluble in water.

Surface tension:

Based on the data from ACD labs, surface tension for 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was predicted to be 0.0896 N/m.

Flash point:

The flash point determination of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid (CAS No. 10149 -98 -1) was done as per the test guideline OECD 103. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid was determine to be greater than 350°C at 980.9 hPa.

Auto flammability:

4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that  4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-1H-pyrazole-3 -carboxylic acid is not auto-flammable.

Flammability:

4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-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 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-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 4,5 -dihydro-5 -oxo-4 -[[4 -[[2 -(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1 -(4 -sulphophenyl)-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.