4-chlorobenzonitrile

Endpoint summary

Description of key information

Appearance/physical state/colour:

4 -Chlorobenzonitrile is a colourless to white/light yellow crystalline solid witha stinging odour of bitter almonds.

Melting point:

The different handbooks and data sheets report a melting point range of 90 - 97 °C for 4 -Chlorobenzonitrile.

Boiling point:

The reported boiling point of 4 -Chlorobenzonitrile is 223 °C at an atmospheric pressure range of 750 - 1013 hPa.

Density:

Using the pycnometer method according to OECD 109 ("Density of Liquids and Solids") a density of 1.2822 ± 0.0003 g/cm3at 20.0 ± 0.4 °C was measured for 4-Chlorobenzonitrile. The density of 4-Chlorobenzonitrile was also reported in two different data sources to be 1.11 g/cm³ and 1.17 g/cm³ at 16.8 °C and 22 °C which support the test result.

Particle size distribution:

The substance 4-Chlorobenzonitrile is produced as a solidified melt and if there are fine particles they agglutinate very fast. Therefore it is not reasonable to perform a test on particle size distribution.

Vapour pressure:

The vapour pressure of 4 -Chlorobenzonitrile was 6.67 hPa at 80.4 °C and 16 hPa at 98 °C.

Partition coefficient:

The partition coefficient (n-octanol/water) log Kow of 4 -Chlorobenzonitrile is 2.47.

Water solubility:

A study according to OECD 105 ("Water Solubility") was performed to assume the water solubility of 4 -Chlorobenzonitrile. The result was water solubility of 245 mg/L. Therefore 4 -Chlorobenzonitrile is classified as moderate soluble.

Also the calculated value for the water solubility of 4-Chlorobenzonitrile ranges between 0.11 g/l and 0.36 g/L at 25 °C, indicating that the substance is moderatly soluble in water.

Solubility in organic solvents / fat solubility:

4-Chlorobenzonitrile has a solubility of 12000 mg/100g ethanol and 870 g/L acetone.

Surface tension:

Surface activity is not a desired property of the substance 4 -Chlorobenzonitrile.

Flash point:

The flash point of 4 -Chlorobenzonitrile is 108 °C.

Auto flammabilty:

Two tests for dusty 4-Chlorobenzonitrile are available evaluating the auto-flammability on hot surface for deposited and dispersed 4-Chlorobenzonitrile. No auto-ignition of deposited and dispersed 4-Chlorobenzonitrile dust occurred on surfaces until 360°C and 600 °C, respectively.

Flammabilty:

4-Chlorobenzonitrile could not be ignited by the 1000 °C hot platin wire, which was dipped for 5 seconds into the dried substance, by an open gas flame held onto the substance for approx. 10-15 seconds or when put into a red heated iron bowl for 60 seconds.

Explosiveness:

The mechanical sensitivity (shock and friction) and the thermal behaviour of the test substance according to a test method similar to guideline EU A.14 was determined. The tests for mechanical sensitivity to friction and shock showed no explosive properties of 4-Chlorobenzonitrile. Furthermore 4-Chlorobenzonitrile showed only two endothermic reactions (melting and boiling) in a DSC.

Oxidising properties:

In accordance with column 2 of REACH Annex VII, the study does not need to be conducted as the substance 4-Chlorobenzonitrile does not contain oxygen or halogen atoms chemically bonded to nitrogen or oxygen.

pH:

The pH of 4 -Chlorobenzonitrile in aqueous solution is stated to be neutral.