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Physical & Chemical properties

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Description of key information

Appearance / physical state / colour:

The appearance of  4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride (C.I. Basic Violet 2) was observed to be dark green powder compund (organic).

Melting point/ Freezing point:

The Mean Melting Temperature Range of 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride (CAS No. 3248-91-7) was determined be 225 - 228°C at 968.9 hPa.

Boiling point:

The boiling point of 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride (CAS No. 3248-91-7) was determined to be greater than 300°C at 968.4 hPa.

Density:

The pour density and tapped density of 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride (CAS No. 3248-91-7) was determined to be 0.5410 g/cm³ and 0.6902 g/cm³ at 24.4 °C and 969.4 hPa.

Particle size distribution (Granulometry):

The particle size distribution of 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride was determined to be in the range of 150 micron to 53 micron.

Vapour pressure:

The estimated vapour pressure of the substance 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride at 25 deg C was 1.01E-012 Pa.

Partition coefficient:

The Log P (octanol-water) of 4-[(4-amino-3-methylphenyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride is estimated to be 1.5366. Based on the estimated value, chemical 4-[(4-amino-3-methylphenyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride can be considered to be hydrophilic in nature.

Water solubility:

The water solubility of 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride was determined to be 20000 mg/L.

Surface tension:

Based on the prediction done by ACD labs, the surface tension for chemical 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride was predicted to be 42.6 ± 7.0 dyne/cm

Flash point:

The mean flash point of 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-otoluidine monohydrochloride (CAS No. 3248-91-7) was 268°C at 970.6hPa.

Autoflammability:

Relative self ignition temperature of 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride was determined to be > 400 °C.

Flammability:

4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride 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 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5 -dien-1-ylidene)methyl]-o-toluidine monohydrochloride 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 which are associated with explosive properties.

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.

pH:

The pH of 1% w/v solution of the test item 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride (CAS No 3248-91-7) was 3.12 at 25.2 °C.

Additional information

Appearance / physical state / colour:

Based on available data from obtained report, the appearance of 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride (C.I. Basic Violet 2) was observed to be dark green powder compund (organic).

Other supporting data from secondary sources, also supported the selected key study and observed physical appearance for 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride as green colored crystalline powder organic compound.

Melting point/ Freezing point:

The melting point determination of Test item 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride (CAS No. 3248-91-7 ) was done as per the test guideline OECD 102. The method followed was according to

Capillary/metal block.

The test was conducted in replicates and Mean Melting Temperature Range was determined to be 225 - 228°C at 968.9 hPa.

Boiling point:

The boiling point determination of Test item 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride (CAS No. 3248-91-7 ) was done as per the test guideline OECD 103. The method followed was according to Siwoloboff. The boiling point was determined to be greater than 300°C at 968.4 hPa.

Density:

The density of test item 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride (CAS No. 3248-91-7) 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 graduated measuring cylinder. The pour density and tapped density of test item was determined to be 0.5410 g/cm³ and 0.6902 g/cm³ at 24.4 °C and 969.4 hPa.

Particle size distribution (Granulometry):

The particle size distribution of test item 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride (CAS No. 3248-91-7 ) 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.

Vapour pressure:

Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the substance 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of the substance 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride at 25 deg C was 1.01E-012 Pa.

Partition coefficient:

The Log P (octanol-water) of 4-[(4-amino-3-methylphenyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride is estimated to be 1.5366. Based on the estimated value, chemical 4-[(4-amino-3-methylphenyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline hydrochloride can be considered to be hydrophilic in nature.

Water solubility:

Based on available data from secondary source, the water solubility of 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride was determined to be 20000 mg/L.

Hence the compound

4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochlorid was considered to be very soluble in water.

Surface tension:

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride was predicted to be 42.6 ± 7.0 dyne/cm

Flash point:

The flash point determination of 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride (CAS No. 3248-91-7)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 268°C at 970.6 hPa.

Autoflammability:

Based on available data from secondary source, the relative self ignition temperature of 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride was determined to be > 400 °C.

Flammability:

4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride 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 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]-o-toluidine monohydrochloride is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5 -dien-1-ylidene)methyl]-o-toluidine monohydrochloride 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 which are associated with explosive properties.

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.

pH:

The pH determination of test item 4-[(4-amino-m-tolyl)(4-imino-3-methylcyclohexa-2,5-dien-1- ylidene)methyl]-o-toluidine monohydrochloride (CAS No 3248-91-7) 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 3.12 at 25.2 °C.