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Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:

On the basis of physical observation,the chemical 2-methyl-4-nitroaniline was observed to be yellow coloured powder in appearance.

Melting point:

The melting point determination of 2-methyl-4-nitroaniline (CAS No. 99-52-5) 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 128.6- 130.6°C at 972.5hPa

Boiling point:

The boiling point determination of  2-methyl-4-nitroaniline(CAS No. 99-52-5) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted and The test item melts above 129 °C, but no string of bubbles were observed upto 300°C.inferring b.p. to be greater than 300°C at 973.2 hPa.

Density:

The density of chemical  2-methyl-4-nitroaniline (CAS No. 99-52-5)was determined following OECD Guideline 109 and according to the method adapted from ASTM D 854-02 using glass pyknometer. The mean density of chemical  2-methyl-4-nitroaniline was found to be 1.3092 g/cm³at 20°C and 972.2 hPa

Particle Size Distribution:

The particle size distribution of test item 4-nitro-o-toluidine (CAS No. 99-52-5 ) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.

Vapor Pressure:

The Antoine Coefficients and Antoine equation were used to calculate the vapour pressure of 2-methyl-4-nitroaniline. The calculated vapor pressure of 2-methyl-4-nitroaniline was 2040 Pa at 133.50 deg C;400039.6329 Pa at 318.55 deg C.

Partition Coefficient:

The partition Coefficient n-octanol/water of 4-nitro-o-toluidine(CAS No.99-52-5) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to functional group similarity with the test substance and calibration graph was prepared. The reference substances were benzene, biphenyl, 4-acetylpyridine, nitrobenzene, toluene, ethylbenzene, n-butylbenzene and naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 1.311 ± 0.0 at 25°C.

Data from various authoritative and modelling databases suggests that the estimated logPow of 2-methyl-4-nitroaniline was 2.020.

These values indicate that 2-methyl-4-nitroaniline is hydrophillic in nature, which is also supported by its solubility in water.

Water Solubility:

The water solubility determination of test item 4-nitro-o-toluidine (CAS No. 99-52-5) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 4-nitro-o-toluidine (CAS:99-52-5 ) in water was determined to be 202.17 mg/L at 30°C.

Data from authoritative database suggests that the experimental water solubility of 2-methyl-4-nitroaniline at 20°C was 140 mg/L.

These values indicate that 2-methyl-4-nitroaniline is moderately soluble in water.

Surface tension:

Based on the data from ACD labs, surface tension for test item 2-methyl-4-nitroaniline was predicted to be 54.9 dyne/cm.

Flash point:

The flash point determination of test substance 2-methyl-4-nitroaniline was done as per the test guideline OECD 103. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determined to be 157.3 degree C at 972.9 hPa. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the substance was considered to be non-flammable.

Autoflammability:

The study does not need to be conducted because the substance is a solid having a melting point ≤ 160 degree C.

Flammability:

2-methyl-4-nitroaniline 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 2-methyl-4-nitroaniline is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 2-methyl-4-nitroaniline was considered non-flammable for chemical safety assessment.

Explosiveness:

The substance contains chemical group associated with explosive properties which includes nitro group but the same does not contribute to explosivenss property of a chemical

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:

pH of 1% w/v aqueous solution of the test substance 2-methyl-4-nitroaniline is 4.88 at 30 °C. Thus, 1% solution can be considered to be near neutral in pH

Additional information

Appearance:

On the basis of physical observation,the chemical 2-methyl-4-nitroaniline was observed to be yellow coloured powder in appearance.

Other supporting studies from reliable sources such as authoritative database and handbook,the chemical 2-methyl-4-nitroaniline was observed to be odourless yellow colored crystalline powder in appearance.

Melting point:

The melting point determination of 2-methyl-4-nitroaniline (CAS No. 99-52-5) 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 128.6- 130.6°C at 972.5hPa

Other supporting studies from various reliable sources such as authoritative database and handbooks,the melting point chemical 2-methyl-4-nitroaniline was determined to be in the range of 128 degree C to 133.5 degree C.

As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of melting point temperature as 128.6 degree C thus considered as key study for the chemical safety assessment.

Boiling point:

The boiling point determination of  2-methyl-4-nitroaniline(CAS No. 99-52-5) was done following OECD Guideline 103 and according to the method of Siwoloboff. The test was conducted and The test item melts above 129 °C, but no string of bubbles were observed upto 300°C.inferring b.p. to be greater than 300°C at 973.2 hPa.

Density:

The density of chemical  2-methyl-4-nitroaniline (CAS No. 99-52-5)was determined following OECD Guideline 109 and according to the method adapted from ASTM D 854-02 using glass pyknometer. The mean density of chemical  2-methyl-4-nitroaniline was found to be 1.3092 g/cm³at 20°C and 972.2 hPa

Other supporting studies from various reliable sources such as authoritative database and handbooks,the density chemical 2-methyl-4-nitroaniline was determined to be 1.1586 g/cm3 at 140 degree C.

As the data from lab has K1 reliability and the test was performed using OECD guidelines which has the value of density as 1.3092 g/cm3 at 20 degree C thus considered as key study for the chemical safety assessment.

Particle Size Distribution:

The particle size distribution of test item 4-nitro-o-toluidine (CAS No. 99-52-5 ) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 53 micron.

Vapor Pressure:

The Antoine Coefficients and Antoine equation were used to calculate the vapour pressure of 2-methyl-4-nitroaniline. The calculated vapor pressure of 2-methyl-4-nitroaniline was 2040 Pa at 133.50 deg C;400039.6329 Pa at 318.55 deg C.

Partition Coefficient:

The partition Coefficient n-octanol/water of 4-nitro-o-toluidine(CAS No.99-52-5) was determined by the Reverse Phase High Performance Liquid Chromatography method according to OECD Guideline No. 117 for testing of Chemicals.The reference substances were chosen according to functional group similarity with the test substance and calibration graph was prepared. The reference substances were benzene, biphenyl, 4-acetylpyridine, nitrobenzene, toluene, ethylbenzene, n-butylbenzene and naphthalene having Pow value ranging from 0.5 to 4.6. The Log Pow value was determined to be 1.311 ± 0.0 at 25°C.

Data from various authoritative and modelling databases suggests that the estimated logPow of 2-methyl-4-nitroaniline was 2.020.

These values indicate that 2-methyl-4-nitroaniline is hydrophillic in nature, which is also supported by its solubility in water.

Water Solubility:

The water solubility determination of test item 4-nitro-o-toluidine (CAS No. 99-52-5) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101. The solubility of 4-nitro-o-toluidine (CAS:99-52-5 ) in water was determined to be 202.17 mg/L at 30°C.

Data from authoritative database suggests that the experimental water solubility of 2-methyl-4-nitroaniline at 20°C was 140 mg/L.

These values indicate that 2-methyl-4-nitroaniline is moderately soluble in water.

Surface tension:

Based on the data from ACD labs, surface tension for test item 2-methyl-4-nitroaniline was predicted to be 54.9 dyne/cm.

Flash point:

The flash point determination of test substance 2-methyl-4-nitroaniline was done as per the test guideline OECD 103. The method is closed cup method using Pensky Martin’s Flash Point Apparatus. The flashpoint of the test substance was determined to be 157.3 degree C at 972.9 hPa. Based on criteria mentioned in CLP regulation the chemical has flash point >than 60 degree C hence the substance was considered to be non-flammable.

Autoflammability:

The study does not need to be conducted because the substance is a solid having a melting point ≤ 160 degree C.

Flammability:

2-methyl-4-nitroaniline 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 2-methyl-4-nitroaniline is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 2-methyl-4-nitroaniline was considered non-flammable for chemical safety assessment.

Explosiveness:

The substance contains chemical group associated with explosive properties which includes nitro group but the same does not contribute to explosivenss property of a chemical

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:

pH of 1% w/v aqueous solution of the test substance 2-methyl-4-nitroaniline is 4.88 at 30 °C. Thus, 1% solution can be considered to be near neutral in pH