Registration Dossier

Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance/physical state/colour

The apperance of Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex was observed as red powder organic compound.

Melting point/freezing point

The decomposition temperature range of Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex (CAS No. 12225-21-7) was determined in the range of 365.5 - 370°C at 976.8 hPa.

Boiling point

The study does not need to be conducted because the compound Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]- 1H-pyrazole-3-carboxylic acid complex is solid compound which decomposes before boiling.

Density

The mean pour density and tapped density of Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]- 1H-pyrazole-3-carboxylic acid complex (CAS No. 12225-21-7) is determined to be 0.2832 g/cm³ and 0.3408 g/cm³ at 26.8°C and 977.9 hPa.

 

Particle size distribution (Granulometry)

The particle size distribution of Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex (CAS No. 12225-21-7)  was determined to be in the range of 150 micron to 10 micron.

 

Vapour pressure

The study does not need to be conducted, because the given substance Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex is a solid compound and it was experimentally reported that it melts at temperature of 365.5-370°C hence this vapor pressure endpoint study was considered for waiver.

 

Partition coefficient

The octanol water partition coefficent of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS no. 12225 -21 -7) was determined by using reverse phase HPLC method in this method reference substances used were namely butanone, acetophenone, benzophenone, phenol, benzene, 2,6-Diphenylpyridine, 4-acetylpyridine, 2-nitrophenol, nitrobenzene and naphthalene having log Pow between range 0.3 -4.9 and calibration graph was prepared. And by using this graph the octanol water partition coefficent of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) was determined to be 0.0278. By this value it is concluded that this test chemical is hydrophilic in nature.

 

Water solubility

The water solubility for the test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex was determined to be 561.286 mg/L at 30°C.

Solubility in organic solvents / fat solubility

The experimental value of solubility of aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex in methanol at 28 deg C was determined to be 600 mg/L indicating that the substance is moderately soluble in methanol.

The experimental value of solubility of aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex in Petroleum ether at 28 deg C was determined to be 400 mg/L indicating that the substance is moderately soluble in Petroleum ether.

 

Surface tension

In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property for the substance, aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex as it is solid in character.

 

Flash point

The mean flash point of Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex (CAS No.12225-21-7) is 109.3°C at 977.0 hPa.

Auto flammability

Aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex did not catch fire on being exposed to air at room temperature of 28 deg C and atmospheric pressure of 975 hPa. This indicates that aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophen yl)-4- [(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex is not auto-flammable.

Flammability

From the experimental value of flammability, Aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex ignited when the flame of bunsen burner having temperature of 950 deg C was brought in contact with it. Thus it can be concluded that aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex is flammable only at high temperature of about 950 deg C. However since such high temperatures are not found under normal circumstances of transportation and use, aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex was considered non-flammable for chemical safety assessment.

Explosiveness

According to theoretical considerations based on chemical structure, aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex.Thus, as per column 2 of Annex VII this end point was considered for waiver.

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.

Stability in organic solvents and identity of relevant degradation products

Aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex 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

The pH of 1% w/v dispersion of the test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex (CAS No12225-21-7) was 3.98 at 30 °C.

Dissociation constant

The experimental pKa value for Aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex was determined to be 0.00000653 at 28 deg C indicating that the chemical has dissociation properties.

Viscosity

This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex is a solid substance and hence this testing was considered scientifically unjustified for aluminium,

4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex.

Additional information

Appearance/physical state/colour

Based on available data from obtained report, the apperance of Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo] -1H-pyrazole-3-carboxylic acid complex was observed as red powder organic compound.

Melting point/freezing point

The melting point determination of Test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo] -1H-pyrazole-3-carboxylic acid complex (CAS No. 12225-21-7) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The decomposition temperature range was determined to be 365.5 - 370°C at 976.8 hPa.

Boiling point

The study does not need to be conducted because the compound Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo] -1H-pyrazole-3-carboxylic acid complex is solid compound which decomposes before boiling.

Density

The density of test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex (CAS No. 12225-21-7) was determined following OECD Guideline 109 and according to the Test methods: Pour density and tapped density of powders” recommended in The International Pharmacopoeia, Fourth Edition, 2014 using bulk density appratus.

The mean pour density and tapped density of test item is determined to be 0.2832 g/cm³ and 0.3408 g/cm³ at 26.8°C and 977.9 hPa.

Other supporting data from another report, determined the bulk density of aluminium,4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4 -sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex by the mass by volume method as 0.353 g/cm3 at room temperature of 28 deg C.

 

Particle size distribution (Granulometry)

The particle size distribution of test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex (CAS No. 12225-21-7) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined in the range of 150 micron to 10 micron.

Other supporting data from another report also determined the particle size distribution (granulometry) of aluminium, 4, 5-dihydro-5-oxo-1 -(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex by the sieve analysis method in the range of 75 micrometer to 600 micrometer. Majority of the particles were found to be in the size more than 150 (62.50%) micrometers in size.a

 

Vapour pressure

The study does not need to be conducted, because the given substance Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex is a solid compound and it was experimentally reported that it melts at temperature of 365.5 -370°C hence this vapor pressure endpoint study was considered for waiver.

 

Partition coefficient

The octanol water partition coefficent of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) (CAS no. 12225 -21 -7) was determined by using reverse phase HPLC method in this method reference substances used were namely butanone, acetophenone, benzophenone, phenol, benzene, 2,6-Diphenylpyridine, 4-acetylpyridine, 2-nitrophenol, nitrobenzene and naphthalene having log Pow between range 0.3 -4.9 and calibration graph was prepared. And by using this graph the octanol water partition coefficent of test chemical aluminum tris(4-{[3-carboxy-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzenesulfonate) was determined to be 0.0278. By this value it is concluded that this test chemical is hydrophilic in nature.

 

Water solubility

The water solubility determination of test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1Hpyrazole- 3 -carboxylic acid complex; CAS No.12225-21-7 was done by spectrophotometric method. The water solubility wasdetermined to be 561.286 mg/L at 30°C.

Hence the test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1Hpyrazole- 3-carboxylic acid complex was considered to be moderately soluble in water.

Solubility in organic solvents / fat solubility

The experimental value of solubility of aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex in methanol at 28 deg C was determined to be 600 mg/L indicating that the substance is moderately soluble in methanol.

The experimental value of solubility of aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex in Petroleum ether at 28 deg C was determined to be 400 mg/L indicating that the substance is moderately soluble in Petroleum ether.

 

Surface tension

In accordance with Column 2 adaptation statement of REACH Annex VII, information requirement 7.6, this end point was considered for waiver since surface activity was not a desired property for the substance, aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4 -sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex as it is solid in character.

 

Flash point

The flash point determination of Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1Hpyrazole- 3-carboxylic acid complex (CAS No. 12225-21-7) was done following closed cup method using Pensky-Martens flash point apparatus. The test was conducted in replicates and mean flash point was determined to be 109.3°C at 977.0 hPa.

Auto flammability

Aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex did not catch fire on being exposed to air at room temperature of 28 deg C and atmospheric pressure of 975 hPa. This indicates that aluminium, 4,5-dihydro-5-oxo-1 -(4-sulfophen yl)-4- [(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex is not auto-flammable.

Flammability

From the experimental value of flammability, Aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3 -carboxylic acid complex ignited when the flame of bunsen burner having temperature of 950 deg C was brought in contact with it. Thus it can be concluded that aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex is flammable only at high temperature of about 950 deg C. However since such high temperatures are not found under normal circumstances of transportation and use, aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex was considered non-flammable for chemical safety assessment.

Explosiveness

According to theoretical considerations based on chemical structure, aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex does not possess explosive properties. The reason for this is there are no chemical groups associated with explosive properties in aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex.Thus, as per column 2 of Annex VII this end point was considered for waiver.

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.

 

Stability in organic solvents and identity of relevant degradation products

Aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex 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

The pH determination of test item Aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1Hpyrazole-3-carboxylic acid complex (CAS No. 12225-21-7) was done as per the test guideline OECD 122.

The mean pH of 1% w/v dispersion of the test item was determined with the help of digital pH meter. The mean pH was determined to be 3.98 at 30 °C.

Other supporting data from another report also determine the pH of 1% by volume solution of aluminium, 4, 5-dihydro-5-oxo-1-(4 -sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex as 4.17at 26 deg C. Thus 1% by volume solution of aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyraz ole -3-carboxylic acid complex is considered to be acidic in nature.

Dissociation constant

The experimental pKa value for Aluminium, 4, 5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl) azo]-1H-pyrazole-3-carboxylic acid complex was determined to be 0.00000653 at 28 deg C indicating that the chemical has dissociation properties.

Viscosity

This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and aluminium, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex is a solid substance and hence this testing was considered scientifically unjustified for aluminium,

4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid complex.