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Description of key information

Appearance

On the basis of available data from study report, the appearance of test chemical was observed to be dark red solid powder.

 

Melting point

Based on the available data from study report,the melting point determination of test chemical was done as per the test guideline OECD Guideline 102 (Melting point / Melting Range). The method followed was according to Capillary/metal block. The test was conducted in replicates and mean decomposition point was determined to be 221.8°C at 96870 Pa.

 

Boiling Point

The study does not need to be conducted because the substance is a solid which decomposes before boiling.

 

Density

Based on the available data from study report, the density of test chemical was determined following OECD guideline 109 and adopted from method ASTM 854-02. Method followed was according to pycnometer method. The density of the test chemical was determined to be 1.6 gm/cm3 at 20°C.

 

Particle size distribution

On the basis of the available data from study report, the particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be 150 micronto 10 micron.

 

Vapour pressure

Based on the available data from modelling database,Modified Grain method was used to estimate the vapour pressure of test chemical using MPBPVP v1.43 of EPI Suite. The estimated vapour pressure of test chemical at 25°C was 0.000000000115 Pa.

 

Partition coefficient

On the basis of the available data from study report, the partition coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were , 2,6-Diphenylpyridine, 2-Nitrophenol, Nitrobenzene, Diphenylamine, n-Butylbenzene, Naphthalene, Triphenylamine were chosen having log Pow range from 0.5 to 5.7 The Log Pow value was determined to be 3.525 ± 0.006 dimensionless at 25°C.

 

Water solubility

Based on the available data from study report,the water solubility determination of test chemical was done as per the OECD guideline 105 (Water solubility) and OECD 101 by using spectrophotometric analytical method. The solubility of test chemical in water was determined to be 2.3965 mg/L at 25°C. On the basis of this value, test chemical was considered to be slightly soluble in water.

 

Solubility in organic solvents

The experimental value of solubility of test chemical in methanol and petroleum ether at 23°C was determined to be 700 and 400 mg/L indicating that the test chemical was considered to be moderately soluble in both solvents i.e., methanol and petroleum ether.

 

Surface tension

The study does not need to be conducted because surface activity is not a desired property of the material.

 

Flash point

Testing for this end pointis technically not feasible and does not need to be conducted because the flash point is only relevant to liquids and low melting point solids.

 

Auto flammability

Test chemical did not catch fire on being exposed to air at room temperature of 23°C pressure of 975 hPa. This indicates that the test chemical is not auto-flammable.

 

Flammability

Test chemical 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 test chemical is not flammable.

 

Explosiveness

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

 

Oxidizing properties

Test chemical was found to have oxidising property since 9355.2 mg of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.

 

Stability in organic solvents and identity of relevant degradation products

Test chemical was reported 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

Based on the available data from study report,the pH of test chemical was determined. The study was performed in accordance with OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The mean pH of the 1% w/v test dispersion was determined with the help of digital pH meter. The mean pH was determined to be 7.17 at 25.4°C, indicating that the test chemical is neutral.

 

Dissociation constant

The average pKa value of test chemical was determined to be 0.00000000000001093667 at 23°C indicating that it has some dissociation properties.

 

Viscosity

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

Additional information

Appearance

On the basis of available data from study report, the appearance of test chemical was observed to be dark red solid powder.

 

Melting point

Based on the available data from study report,the melting point determination of test chemical was done as per the test guideline OECD Guideline 102 (Melting point / Melting Range). The method followed was according to Capillary/metal block. The test was conducted in replicates and mean decomposition point was determined to be 221.8°C at 96870 Pa.

 

Boiling Point

The study does not need to be conducted because the substance is a solid which decomposes before boiling.

 

Density

Based on the available data from study report, the density of test chemical was determined following OECD guideline 109 and adopted from method ASTM 854-02. Method followed was according to pycnometer method. The density of the test chemical was determined to be 1.6 gm/cm3 at 20°C.

 

Particle size distribution

On the basis of the available data from study report, the particle size distribution of test chemical was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be 150 micronto 10 micron.

 

Vapour pressure

Based on the available data from modelling database,Modified Grain method was used to estimate the vapour pressure of test chemical using MPBPVP v1.43 of EPI Suite. The estimated vapour pressure of test chemical at 25°C was 0.000000000115 Pa.

 

Partition coefficient

On the basis of the available data from study report, the partition coefficient n-octanol/water of test chemical was determined by the Reverse Phase High Performance Liquid Chromatographic method according to OECD Guideline No. 117 for testing of Chemicals. The reference substances were chosen according to estimated Pow range of the test substance and generalized calibration graph was prepared. The reference substances were , 2,6-Diphenylpyridine, 2-Nitrophenol, Nitrobenzene, Diphenylamine, n-Butylbenzene, Naphthalene, Triphenylamine were chosen having log Pow range from 0.5 to 5.7 The Log Pow value was determined to be 3.525 ± 0.006 dimensionless at 25°C.

 

Water solubility

Based on the available data from study report,the water solubility determination of test chemical was done as per the OECD guideline 105 (Water solubility) and OECD 101 by using spectrophotometric analytical method. The solubility of test chemical in water was determined to be 2.3965 mg/L at 25°C. On the basis of this value, test chemical was considered to be slightly soluble in water.

 

Solubility in organic solvents

The experimental value of solubility of test chemical in methanol and petroleum ether at 23°C was determined to be 700 and 400 mg/L indicating that the test chemical was considered to be moderately soluble in both solvents i.e., methanol and petroleum ether.

Surface tension

The study does not need to be conducted because surface activity is not a desired property of the material.

Flash point

Testing for this end pointis technically not feasible and does not need to be conducted because the flash point is only relevant to liquids and low melting point solids.

 

Auto flammability

Test chemical did not catch fire on being exposed to air at room temperature of 23°C pressure of 975 hPa. This indicates that the test chemical is not auto-flammable.

 

Flammability

Test chemical 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 test chemical is not flammable.

 

Explosiveness

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

 

Oxidizing properties

Test chemical was found to have oxidising property since 9355.2 mg of KMnO4 was required for getting the end point of the redox titration for 100 g of test chemical.

 

Stability in organic solvents and identity of relevant degradation products

Test chemical was reported 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

Based on the available data from study report,the pH of test chemical was determined. The study was performed in accordance with OECD Guideline 122 (Determination of pH, Acidity and Alkalinity). The mean pH of the 1% w/v test dispersion was determined with the help of digital pH meter. The mean pH was determined to be 7.17 at 25.4°C, indicating that the test chemical is neutral.

In a supporting study, 1% by volume solution of test chemical was found to exhibit a pH of 7.80 at 21°C. Thus 1% by volume solution of test chemical is near neutral to slightly basic in nature.

 

Dissociation constant

The average pKa value of test chemical was determined to be 0.0000000000000001093667 at 23°C indicating that it has some dissociation properties.

 

Viscosity

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

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