Registration Dossier

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance / physical state / colour:

The appearance of 5 -acetamido-2- aminobenzenesulphonic acid was observed to be white-yellowish grey colored organic solid crystal powder.

Melting point/ Freezing point:

Based on prediction done using MPBPVP v1.43, the melting point of chemical 5-acetamido-2-aminobenzenesulphonic acid was  estimated to be 204.52 ˚C

Boiling point:

Based on prediction done using MPBPVP v1.43, the Boiling point of chemical  5-acetamido-2-aminobenzenesulphonic acid was  estimated to be 482.70 ˚C

Density:

The density of chemical 5-acetamido-2-aminobenzenesulphonic acid was estimated to be 1.560 ± 0.06 g/cm3

Particle size distribution (Granulometry):

The particle size distribution of 5-acetamido-2-aminobenzenesulphonic acid was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 147 micron to 52 micron.

Vapour pressure:

The estimated vapour pressure of the test substance 5-acetamido-2-aminobenzenesulphonic acid at 25 deg C was 1.06E-009 Pa.

Partition coefficient:

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96 -78 -6)

The estimated logPOW of the test substance5-acetamido-2-aminobenzenesulphonic acidwas -2.98. Based on the estimated value, the test substance5-acetamido-2-aminobenzenesulphonic acidcan be considered hydrophillic in nature, which is also supported by the high water solubility of the test substance5-acetamido-2-amino benzenesulphonic acid.

Water solubility:

The water solubility of 5-acetamido-2-aminobenzenesulphonic acid was determined to be 13500 mg/L at 20 °C.

Surface tension:

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 5-acetamido-2- aminobenzenesulphonic acid was predicted to be 79.0 ± 3.0 dyne/cm

Flash point:

Based on the Calculation done using  scientifically verified and validated formulas / equations, the flash point of chemical  5-acetamido-2-aminobenzenesulphonic acid was estimated to be 280.694 degree C.

Autoflammability:

5-acetamido-2-aminobenzenesulphonic acid did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 5-acetamido-2-aminobenzenesulphonic acid is not auto-flammable.

Flammability:

5-acetamido-2-aminobenzenesulphonic 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 5-acetamido-2-aminobenzenesulphonic acid is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 5-acetamido-2-aminobenzenesulphonic 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.

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 reports, the appearance 5-acetamido-2- aminobenzenesulphonic acid was observed to be white-yellowish grey colored organic solid crystal powder.

Melting point/ Freezing point:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical 5-acetamido-2-aminobenzenesulphonic acid was predicted. The melting point of chemical was estimated to be 204.52 ˚C

Boiling point:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical 5-acetamido-2-aminobenzenesulphonic acid was predicted. The boiling point of chemical 5-acetamido-2-aminobenzenesulphonic acid was estimated to be 482.70 ˚C

Density:

Based on prediction done using ACD/I-Lab 2.0 and Scifinder, the density of chemical 5-acetamido-2-aminobenzenesulphonic acid was estimated to be 1.560 ± 0.06 g/cm3

Particle size distribution (Granulometry):

The particle size distribution of 5-acetamido-2-aminobenzenesulphonic acid was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 147 micron to 52 micron.

Vapour pressure:

Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the substance 5-acetamido-2-aminobenzenesulphonic acid using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of the substance 5-acetamido-2-aminobenzenesulphonic acid at 25 deg C was 1.06E-009 Pa.

Partition coefficient:

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance5-acetamido-2-aminobenzenesulphonic acid (CAS no. 96 -78 -6)

The estimated logPOW of the test substance5-acetamido-2-aminobenzenesulphonic acidwas -2.98. Based on the estimated value, the test substance5-acetamido-2-aminobenzenesulphonic acidcan be considered hydrophillic in nature, which is also supported by the high water solubility of the test substance5-acetamido-2-amino benzenesulphonic acid.

Water solubility:

The water solubility of 5-acetamido-2-aminobenzenesulphonic acid from two different studies summarized below,

First study based on available data from authoritative database, determined the water solubility of chemical 5-acetamido-2-aminobenzenesulphonic acid as 13500 mg/L at 20 °C.

Other supporing studies from EPI suite, estimated water solubility of the substance 5-acetamido-2-aminobenzenesulphonic acid by using WSKOW v1.42. The estimated water solubility of the substance 5-acetamido-2-aminobenzenesulphonic acid was considered to be 5163 mg/l at 25 deg C.

Based on these values, the substance 5 -acetamido-2-aminobenzenesulphonic acid was considered to be very soluble-soluble in water.

Surface tension:

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 5-acetamido-2- aminobenzenesulphonic acid was predicted to be 79.0 ± 3.0 dyne/cm

Flash point:

Based on the calculation done using  scientifically verified and validated formulas / equations, the flash point of chemical 5-acetamido-2-aminobenzenesulphonic acid was estimated to be 280.694 degree C. Thus, according to flash point value the chemical 5-acetamido-2-aminobenzenesulphonic acid was not classified as flammable.

Autoflammability:

5-acetamido-2-aminobenzenesulphonic acid did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 5-acetamido-2-aminobenzenesulphonic acid is not auto-flammable.

Flammability:

5-acetamido-2-aminobenzenesulphonic 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 5-acetamido-2-aminobenzenesulphonic acid is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 5-acetamido-2-aminobenzenesulphonic 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.

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.