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Physical & Chemical properties

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Description of key information

Appearance / physical state / colour:

The appearance of 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was observed to be violet colored solid powder organic compound.

Melting point/ Freezing point:

Based on prediction done using MPBPVP v1.43,the melting point of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was  estimated to be 240.31 ˚C.

Boiling point:

Based on prediction done using MPBPVP v1.43, the Boiling point of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was  estimated to be 559.33 ˚C

Density:

The density of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was estimated to be 1.31 ± 0.1 g/cm3.

Particle size distribution (Granulometry):

The particle size distribution of 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 147 micron to 52 micron.

Vapour pressure:

The estimated vapour pressure of the test substance 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) at 25deg C was 4.72E-013 Pa.

Partition coefficient:

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile. The partition coefficient (log Pow) value of the substance 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile was estimated to be3.24 dimensionless. On the basis of log Pow value it can be concluded that this test chemical is hydrophilic in nature.

Water solubility:

The estimated water solubility of test substance 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) at 25 deg C was 61.338 mg/l.

Surface tension:

Based on the prediction done by ACD labs, the surface tension for chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was predicted to be 56.0 ± 7.0  dyne/cm.

Flash point:

The flash point of  2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8)  is determined to be greater than

250°C.

Autoflammability:

2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236 -25-8) is not auto-flammable.

Flammability:

2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) 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-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was considered non-flammable for chemical safety assessment.

Explosiveness:

The study does not need to be conducted because the substance contains some chemical group associated with explosive properties which include oxygen, but the calculated oxygen balance is less than - 200, hence this study considered to be 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.

Additional information

Appearance / physical state / colour:

Based on available data from obtained report, the appearance 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236 -25-8) was observed to be violet colored solid powder organic compound.

Melting point/ Freezing point:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5 -nitrobenzonitrile (CAS no. 12236-25-8) was predicted.

The melting point of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was estimated to be 240.31 ˚C.

Boiling point:

Based on the prediction done using the EPI Suite MPVPBP V1.43, the Boiling point of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5 -nitrobenzonitrile (CAS no. 12236-25-8) was predicted.

The boiling point of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was estimated to be 559.33 ˚C.

Density:

Based on prediction done using ACD/I-Lab 2.0, the density of chemical 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25 -8) was estimated to be 1.31 ± 0.1  g/cm3.

Particle size distribution (Granulometry):

The particle size distribution of 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 147 micron to 52 micron.

Vapour pressure:

Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the test substance

2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) using MPBPVP v1.43 of EPI SUITE.

The estimated vapour pressure of the test substance 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8)

at 25 deg C was 4.72E-013 Pa.

Partition coefficient:

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile. The partition coefficient (log Pow) value of the substance 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile was estimated to be 3.24 dimensionless. On the basis of log Pow value it can be concluded that this test chemical is hydrophilic in nature.

Water solubility:

WATERNT Program (v1.01) was used to estimate the water solubility of the test substance 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo] -5 -nitrobenzonitrile (CAS no. 12236-25-8).

The estimated water solubility of the test substance 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8)

at 25 deg C was 61.338 mg/l.

Based on the estimated value, the test substance 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8)

was considered to be slightly soluble in water.

Surface tension:

Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 2-[[4-[bis(2-hydroxyethyl)amino] -o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was predicted to be 56.0 ± 7.0 dyne/cm.

Flash point:

Based on available data from obtained report, the flash point of 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236 -25-8) is determined to be greater than 250°C.

Hence on the basis of obtained value the 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) is not classified as flammable.

Autoflammability:

2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236 -25-8) is not auto-flammable.

Flammability:

2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) 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-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 2-[[4-[bis(2-hydroxyethyl)amino]-o-tolyl]azo]-5-nitrobenzonitrile (CAS no. 12236-25-8) was considered non-flammable for chemical safety assessment.

Explosiveness:

The study does not need to be conducted because the substance contains some chemical group associated with explosive properties which include oxygen, but the calculated oxygen balance is less than - 200, hence this study considered to be 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.