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Physical & Chemical properties

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Description of key information

Appearance 

In an experiment conducted by SSS(Europe)AB, on the basis of visual perceptual/Olfactory  property, the chemical 2-chloro-p-phenylenediamine was found to be a steel grey coloured powder in appearance.

 

Melting point 

The melting point of 2-chloro-p-phenylenediamine was determined according to Differential scanning calorimetry (DSC) method using Mettler Toledo, DSC 823e apparatus. The melting point of 2-chloro-p-phenylenediamine was found to be 63°C.

 

Boiling point 

The Adapted Stein and Brown method was used to estimate the boiling point of 2-chloro-p-phenylenediamine using MPBPVP v1.43 Program of EPI SUITE. The boiling point of 2-chloro-p-phenylenediamine was estimated to be 280.29 deg C.

 

Density 

The density of 2-chloro-p-phenylenediamine (CAS No. 615-66-7 ) was determined according to DIN 51913 method using gas pycnometer. The density of test item 2-chloro-p-phenylenediamine was found to be 1.4201 g/cm3 at 23°C.

 

Particle Size Distribution

The particle size distribution of 2-chlorobenzene-1,4-diamine 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 Modified Grain method was used to estimate the vapour pressure of 2-chloro-p-phenylenediamine using MPBPVP v1.43 Program of EPI SUITE. The vapour pressure of 2-chloro-p-phenylenediamine was estimated to be 0.274 Pa (0.00206 mm Hg) at 25 deg C. 

 

Partition Coefficient

The partition coefficient (log Pow) of the test substance 2-chloro-p-phenylenediamine was determined according to the OECD Guideline for the testing of chemicals 107.

Result:

Determination No.

Ratio n-octanol : water

Log Pow

A1

2:1

0.43

A2

2:1

0.45

B1

1:1

0.44

B2

1:1

0.44

C1

1:2

0.45

C2

1:2

0.44

Mean

---

0.44

The octanol-water partition coefficient (log Pow) of the test substance 2-chloro-p-phenylenediamine was determined to be 0.44 at 20 -25 degC. This value indicates that the substance 2-chloro-p-phenylenediamine is hydrophilic in nature which is also supported by its solubility in water. 

 

Water Solubility

The water solubiliity of 2-chloro-p-phenylenediamine was estimated by using WSKOW v1.42 method of EPI Suite.The water solubility of 2-chloro-p- phenylenediamine was estimated to be 49610 mg/L at 25 degC, indicating that the substance is very soluble in water.

 

Surface tension

In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. The chemical 2-chloro-p-phenylenediamine is an aniline derivative used as a hair and fur dye, photographic developer, in photochemical measurements, chemical intermediate in the manufacturing of dyes, antioxidants and rubber accelerators. For these uses, surface activity is not a desired property and hence this end point was considered for waiver.

 

Flash point 

The flash point of 2-chloro-p-phenylenediamine was predicted using the ACD/Labs Percepta Platform - PhysChem Module.The flash point of 2-chloro-p- phenylenediamine was estimated to be 127.9±21.8°C.

 

Autoflammability

The study does not need to be conducted because the substance 2-chloro-p-phenylenediamine (CAS No. 615-66-7) has melting point 63°C which was less than 160 degree C. Therefore this end point considered for waiver.

 

Flammability

The study does not need to be conducted because the substance is a solid, as the 2-chloro-p-phenylenediamine has NFPA rating 0 and the flash point is 127.9 degree C which is very high. As per the CLP regulation the chemical which has flash point >than 60 degree C was considered to be non-flammable. Based on this 2-chloro-p-phenylenediamine was considered to be non-flammable supported by low NFPA rating.

 

Explosiveness

In accordance with column 2 of Annex VII of the REACH regulation, the study is scientifically unjustified since there are no chemical groups associated with explosive properties present in the molecule of 2-chloro-p-phenylenediamine. Thus, the chemical 2-chloro-p-phenylenediamine is not likely to be explosive and is considered to be "Non explosive" for the purpose of chemical safety assessment.

 

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. 

 

Viscosity

This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and 2-chloro-p-phenylenediamine is a solid substance and hence this testing was considered scientifically unjustified for 2-chloro-p-phenylenediamine.

 

Additional information

Appearance

In an experiment conducted by SSS(Europe)AB, on the basis of visual perceptual/Olfactory property, the chemical 2-chloro-p-phenylenediamine was found to be a steel grey coloured powder in appearance.

The supporting study from reliable handbook and database, also indicates that 2-chloro-p-phenylenediamine to be a needle shape organic solid substance.

  

Melting point

The melting point of 2-chloro-p-phenylenediamine was determined according to Differential scanning calorimetry (DSC) method using Mettler Toledo, DSC 823e apparatus. The melting point of 2-chloro-p-phenylenediamine was found to be 63°C.

 

Based on the data from other supporting study from various reliable sources such as handbooks (Sax's Handbook of Dangerous Industrial Materials, 2007); the melting point of 2-chloro-p-phenylenediamine was reported as 64°C which is in the range of key study value.

 

As the data from experimental study has K1 reliability and the test was performed in accordance with procedure AA 1020 - 1129 which has the value of melting point temperature as 63 degree C, thus considered as key study for the chemical safety assessment.

 

Boiling point

The Adapted Stein and Brown method was used to estimate the boiling point of 2-chloro-p-phenylenediamine using MPBPVP v1.43 Program of EPI SUITE. The boiling point of 2-chloro-p-phenylenediamine was estimated to be 280.29 deg C.

 

Density 

The density of 2-chloro-p-phenylenediamine (CAS No. 615-66-7 ) was determined according to DIN 51913 method using gas pycnometer. The density of test item 2-chloro-p-phenylenediamine was found to be 1.4201 g/cm3 at 23°C.

 

Moreover, the density of 2-chloro-p-phenylenediamine was predicted using the ACD/Labs Percepta Platform - PhysChem Module. The density was estimated to be 1.3±0.1 g/cm³ at 25 degC. 

 

As the data from experimental study has K1 reliability and the test was performed using national standard method which has the value of density as 1.4201 g/cm3 at 23°C., thus considered as key study for the chemical safety assessment.

 

Particle Size Distribution

The particle size distribution of 2-chlorobenzene-1,4-diamine 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 Modified Grain method was used to estimate the vapour pressure of 2-chloro-p-phenylenediamine using MPBPVP v1.43 Program of EPI SUITE. The vapour pressure of 2-chloro-p-phenylenediamine was estimated to be 0.274 Pa (0.00206 mm Hg) at 25 deg C. 

 

Partition Coefficient 

The partition coefficient (log Pow) of the test substance 2-chloro-p-phenylenediamine was determined according to the OECD Guideline for the testing of chemicals 107. The octanol-water partition coefficient (log Pow) of the test substance 2-chloro-p-phenylenediamine was determined to be 0.44 at 20-25 degC.

 

Based on the supporting study from predictive models, the octanol-water partition coefficient (log Pow) of 2-chloro-p-phenylenediamine was estimated by KOWWIN Program (v1.68) of EPI suite. The octanol-water partition coefficient (log Kow) of 2-chloro-p-phenylenediamine was estimated to be 0.25 at 25 degC.

 

Based on the experimental and estimated values, the substance 2-chloro-p-phenylenediamine can be considered as hydrophilic in nature which is also supported by its solubility in water.

 

As the data from the experimental study has K1 reliability and the test was performed using OECD guidelines which has the value of Log Pow as 0.44 at 20-25°C, indicating that 2-chloro-p-phenylenediamine is hydrophilic in nature., thus considered as key study for the chemical safety assessment.

 

Water Solubility

The water solubiliity of 2-chloro-p-phenylenediamine was estimated by using WSKOW v1.42 method of EPI Suite.The water solubility of 2-chloro-p-phenylenediamine was estimated to be 49610 mg/L at 25 degC, indicating that the substance is very soluble in water.

 

Surface tension 

In accordance with column 2 of Annex VII of the REACH regulation, the study need only be conducted if surface activity is a desired property of the chemical. The chemical 2-chloro-p-phenylenediamine is an aniline derivative used as a hair and fur dye, photographic developer, in photochemical measurements, chemical intermediate in the manufacturing of dyes, antioxidants and rubber accelerators. For these uses, surface activity is not a desired property and hence this end point was considered for waiver.

 

Flash point 

The flash point of 2-chloro-p-phenylenediamine was predicted using the ACD/Labs Percepta Platform - PhysChem Module. The flash point of 2-chloro-p-phenylenediamine was estimated to be 127.9±21.8°C. Based on the criteria mentioned in CLP regulation, the chemical has a flash point > 60 degree C and hence the substance 2-chloro-p-phenylenediamine (CAS No. 615-66-7) was considered to be non-flammable.

 

Autoflammability

The study does not need to be conducted because the substance 2-chloro-p-phenylenediamine (CAS No. 615-66-7) has melting point 63°C which was less than 160 degree C. Therefore this end point considered for waiver.

 

Flammability

The study does not need to be conducted because the substance is a solid, as the 2-chloro-p-phenylenediamine has NFPA rating 0 and the flash point is 127.9 degree C which is very high. As per the CLP regulation the chemical which has flash point >than 60 degree C was considered to be non-flammable. Based on this 2-chloro-p-phenylenediamine was considered to be non-flammable supported by low NFPA rating.

 

Explosiveness

In accordance with column 2 of Annex VII of the REACH regulation, the study is scientifically unjustified since there are no chemical groups associated with explosive properties present in the molecule of 2-chloro-p-phenylenediamine. Thus, the chemical 2-chloro-p-phenylenediamine is not likely to be explosive and is considered to be "Non explosive" for the purpose of chemical safety assessment.

 

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.

  

Viscosity

This end point was considered for waiver since viscosity is an inherent property of a liquid that offers resistance to its flow and 2-chloro-p-phenylenediamine is a solid substance and hence this testing was considered scientifically unjustified for 2-chloro-p-phenylenediamine.

 

 

 

 

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