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EC number: 209-608-2 | CAS number: 587-98-4
Endpoint summary
Administrative data
Description of key information
Appearance:
On the basis of physical observation and using the sense of smell, sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate was found to be an orange-yellow coloured powder .
Melting point:
The melting point determination of Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS No. 587-98-4) was done following OECD Guideline 102 and according to the metal block capillary method. The test was conducted in replicates and mean melting temperature range was found to be 326 - 332.66°C at 967.7hPa.
Boiling point:
The boiling point determination of Test item Sodium 3-(panilinophenylazo) benzenesulphonate (CAS No. 587-98-4) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. test item melts above 325 °C, inferring the boiling point to be greater than 325°C at 970.4 hPa.
Density:
The density of test item Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS No. 587-98-4) 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 apparatus.The mean pour density and tapped density of test item was found to be 0.4882 g/cm³ and 0.6460 g/cm³at 25 °C and 967.2 hPa.
Particle size distribution:
The particle size distribution of sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate 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 (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test substance sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the substance sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate at 25deg C was 6.93E-016 Pa.
Partition coefficient
The partition coefficient(n-octanol/water) of test substance Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS No. 587-98-4)was determined as per the HPLC method (OECD Guideline-117). The Log Pow value was found to be 0.137 ± 0.008 at 25°C.
Water solubility:
The water solubility determination of test item Sodium 3-(p-anilinophenylazo)benzenesulphonate;CAS No.587-98-4 was done by spectrophotometric method. The water solubility was found to be 23431 mg/L at 25°C.
Surface tension:
Based on the data from ACD labs, surface tension of chemical sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate was predicted to be 54.9 ± 7.0 N/m.
Flash point:
The flash point determination of Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS No. 587-98-4) was done following closed cup method using Pensky-Martens flash point apparatus.The flash point was found to be greater than 250°C at 970.3hPa.
Autoflammability:
Sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate is not auto-flammable.
Flammability:
Sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate 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 sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonated 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 except azo group,which does not contribute to the explosiveness of the chemical sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate
Oxidising properties:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied.
pH:
The pH determination of test item Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS No 587-98-4) was done following OECD guideline 122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 10.04 at 25 °C.
Additional information
Appearance:
On the basis of physical observation and using the sense of smell, sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate was found to be an orange-yellow coloured powder .
Other supporting data from various reliable sources such as authoritative database and handbooks, also indicates the chemical sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate was to be an organic brownish yellow to orange coloured powder in appearance. Thus supports the key study results.
Melting point:
The melting point determination of Test item Sodium 3-(panilinophenylazo) benzenesulphonate (CAS No. 587-98-4 ) was done as per the test guideline OECD 102. The method followed was according to Capillary/metal block. The mean melting temperature range was found to be 326 - 332.66°C at 967.7 hPa.
Other supporting data based on the prediction done using the EPI Suite MPVPBP V1.43, indicates the melting point of chemical sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate to be 325.25 ˚C, which is close to selected key value.
Boiling point:
The boiling point determination of Test item Sodium 3-(panilinophenylazo) benzenesulphonate (CAS No. 587-98-4) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. test item melts above 325 °C, inferring the boiling point to be greater than 325°C at 970.4 hPa.
Other supporting data based on the prediction done using the EPI Suite MPVPBP V1.43, indicates the boiling point of chemical sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate to be 741.38 ˚C, which is greater than 325 ˚C and thus supports the key value.
Density:
The density of test item Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS No. 587-98-4) 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 apparatus.The mean pour density and tapped density of test item was found to be 0.4882 g/cm³ and 0.6460 g/cm³at 25 °C and 967.2 hPa.
Other supporting data based on prediction done using ACD/I-Lab 2.0, indicates the density of chemical sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate to be 1.41 ± 0.01 g/cm3.
Particle size distribution:
The particle size distribution of sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate 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 (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test substance sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the substancesodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonateat 25deg C was6.93E-016 Pa
Partition coefficient
The partition Coefficient n-octanol/water of Sodium 3-(p-nilinophenylazo)benzenesulphonate(CAS No.587-98-4) 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 functional similarity with the test substance and calibration graph was prepared .The reference substances were Biphenyl, 4-Acetylpyridine, Diphenylamine, Toluene, Ethylbenzene, n-Butylbenzene, Naphthalene having Pow value ranging from 0.5 to 4.6 The Log Pow value was found to be 0.137 ± 0.008 at 25°C.
Other supporting data based on the available data from authoritative database, indicates the Octanol water partition coefficient value of the substance (Log Pow) as 2.25. Both these values indicate that the substance is hydrophillic in nature which is also supported by its water solubility.
Water solubility:
The water solubility determination of test item Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS No. 587-98-4) was done as per the OECD guideline 105 by spectrophotometric analytical method as per OECD 101. The solubility of (Sodium 3 - (p-anilinophenylazo)benzenesulphonate of 587-98-4 ) in water was found to be 23431 mg/L at 25°C. This indicates that the substance is very soluble in water.
Other supporting data from various reliable sources such as authoritative database and handbooks also indicates that the chemical sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate to be moderately soluble to soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension of chemical sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate was predicted to be 54.9 ± 7.0 N/m.
Flash point:
The flash point determination of Test item Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS No. 587-98-4 )was done. The method is closed cup method using Pensky-Martens Flash Point Apparatus. The flash point of the test item was found to be greater than 250°C at 970.3 hPa.
Other supporting data based on the Calculation done using scientifically verified and validated formulas / equations ,the flash point of chemical sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate was estimated to be 502.537 degree C, which is greater than 250°C and thus supports the selected key value.
Autoflammability:
Sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate is not auto-flammable.
Flammability:
Sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate 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 sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonated 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 except azo group,which does not contribute to the explosiveness property of the chemical sodium 3-[(4-anilinophenyl)diazenyl]benzenesulfonate
Oxidising properties:
The study does not need to be conducted because there are no chemical groups present in the molecule which are associated with oxidising properties and hence, the classification procedure does not need to be applied.
pH:
The pH determination of test item Sodium 3-(p-anilinophenylazo)benzenesulphonate (CAS No 587-98-4) was done following OECD guideline 122. pH of 1% w/v solution was measured with the help of pH meter and it was observed to be 10.04 at 25 °C.
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