3-amino-4-hydroxy-5-nitrobenzenesulphonic acid

Endpoint summary

Additional information

Appearance/physical state/colour :On the basis of physical observation and using the sense of smell, 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid was found to be a light green coloured ,organic solid with characteristic odour at 30°C and 975 hPa.

Melting point/freezing point :The melting point of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid by the capillary method was found to be >940 degC at an atmospheric pressure of 975 hPa.There was no decomposition & sublimation observed of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid at this melting point.Melting point value at 101325 Pa is equivalent to 976.87 degC.

Boiling point :The boiling point of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid by the distillation method was found to be >1000 degC at the atmospheric pressure of 975 hPa.No decomposition of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid was observed at this boiling point. The boiling point of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid at 101325 Pa will be equivalent to 1039.23 deg C.

Density:

The experimental value of density of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid by the mass by volume method was found to be 0.864 g/cm3 at room temperature of 30 °C .This value when converted into 20 degC is equivalent to 0.576 g/cm3.

The supporting study shows value different from the key study which could be due to the difference in the estimation conditions. However for the purpose of the dossier and chemical safety assessment, the key study value shall be used.

Particle size distribution (Granulometry): The particle size distribution (granulometry) of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid by the sieve analysis method was found to be in the range of 150 micrometer to 500 micrometer. Majority of the particles were found to be 500 (47.12%) micrometer in size.

Vapour pressure

Vapour pressure of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid is estimated to be 0.0000000001 mm Hg (1E-11) by modified Grain method. This indicates that 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid has low vapour pressure.

 

Partition coefficient: The experimental value of octanol water partition co-efficient (Log Pow) of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid is -1.096 at 30 degC and at at pH 0.88.This value indicates that 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid is relatively hydrophilic in nature.

 

Water solubility :The experimental value of the water solubility of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid was found to be 4200 mg/L at 30 degC indicating that it is soluble in water.The supporting study shows value different from the key study which could be due to the difference in the estimation conditions. However for the purpose of the dossier and chemical safety assessment, the key study values shall be used.

 

Solubility in organic solvents / fat solubility: The experimental value of solubility of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid in ethanol at 30 degC was found to be 1500 mg/L indicating that this substance is soluble in ethanol whereas the solubility of the substance in Petroleum ether was observed to be 320 mg/L (slightly soluble) at 30 °C. The solubility value of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid in ethanol at 20 °C is equivalent to 1000mg/L.

Surface tension: Surface tension of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid is estimated to be 106.1 mN/m.

Flash point:

 

Auto flammability :3-amino-4-hydroxy-5-nitrobenzenesulphonic acid did not catch fire on being exposed to air at room temperature of 30 degC and atmospheric pressure of 975 hPa. This indicates that 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid is not auto-flammable.

 

Flammability :From the experimental values of flammability, 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid ignited when the flame of bunsen burner having temperature of 950 degC was brought in contact with it. Thus it can be concluded that 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid is flammable only at high temperature of about 950 degC. However since such high temperatures are not found under normal circumstances of transportation and use, 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid was considered non-flammable for chemical safety assessment.

 

Oxidising properties:

3-amino-4-hydroxy-5-nitrobenzenesulphonic acid was found to have very weak oxidising property since 486.2 ml of KMnO4 was required for getting the end point of the redox titration for 100 g of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid. Therefore, for the purpose of chemical safety assessment, the chemical is considered to be non-oxidising.

 

Stability in organic solvents and identity of relevant degradation products :The substance 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid was found to be stable in organic solvent dichloro methane and no degradation products were formed after 24 hours as evident from the GC-MS chromatogram obtained at 0 hours and that obtained after 24 hours.

 

pH :1% by volume solution of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid was found to exhibit a pH of 1.65 at 25 degC. Thus 1% by volume solution of 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid is highly acidic in nature.

 

Dissociation constant :The experimental pKa value for 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid was found to be 0.0095 , 0.0099 and 0.0097 at 30 degC indicating that it has dissociation properties.The average pKa value at 20 Deg C is equivalent to 0.00646

 

Viscosity :This end point was considered for waiver since viscosity is an internal property of a liquid that offers resistance to flow and 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid is a solid substance and hence this testing was considered scientifically unjustified for 3-amino-4-hydroxy-5-nitrobenzenesulphonic acid.