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EC number: 254-529-9 | CAS number: 39577-43-0
Endpoint summary
Administrative data
Description of key information
Appearance:
Based on available data from reliable safety data sheet,the chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was observed to be an odourless beige coloured powder in appearance.
Melting point:
Based on the prediction done using the EPI Suite MPVPBP V1.43,the melting point of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was predicted.
The melting point of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be 123.86 degree C.
Boiling point:
Based on available data from various authoritative database,the boiling point of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was determined to be in the range of 157 degree C to 162 degree C at 0.5 torr pressure.
Density:
Based on prediction done using ACD/I-Lab 2.0,the density of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be1.186 ± 0.06 g/cm3.
Particle Size Distribution:
The particle size distribution of test item 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 10 micron.
Vapor Pressure:
MPBPVP v1.43 was used to estimate the vapor pressure of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine. The estimated vapour pressure of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine at 25 deg C was 0.00154 Pa.
Partition Coefficient:
KOWWIN v1.68 was used to estimate the octanol water partition coefficient of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine.The estimated octanol water partition coefficient (logPow) of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was 3.64.
Water Solubility:
WSKOW v1.42 was used to estimate the water solubility of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine.
The estimated water solubility of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine at 25 deg C was 140.1 mg/l.
This value suggests that 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is moderately soluble in water.
Surface tension:
Based on the data from ACD labs, surface tension for test item 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was predicted to be 41.2 ± 3.0 dyne/cm.
Flash point:
The flash point determination of test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine 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 110°C at 980.9 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:
1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is not auto-flammable.
Flammability:
1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine 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 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine 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 oxidising properties and hence, the classification procedure does not need to be applied
Viscosity:
The study does not need to be conducted because the substance is a solid
Additional information
Appearance:
Based on available data from reliable safety data sheet,the chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was observed to be an odourless beige coloured powder in appearance.
Other supporting study from reliable safety data sheet also indicates that the chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was observed to be an organic beige coloured powder in appearance
Melting point:
Based on the prediction done using the EPI Suite MPVPBP V1.43,the melting point of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was predicted.
The melting point of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be 123.86 degree C.
In Other supporting study Melting point of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was predicted using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model based on PaDEL descriptors and from NICEATM models.
The Melting point of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be in the range of 117 degree C to 142 degree C,and the selected key study value lies in the range as mentioned.
Boiling point:
Based on available data from various authoritative database,the boiling point of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was determined to be in the range of 157 degree C to 162 degree C at 0.5 torr pressure.
Other supporting studies based on the prediction done using the EPI Suite MPVPBP V1.43 and CompTox Chemistry Dashboard which usesOPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 and NICEATM model,the Boiling point of chemical1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was predicted.
The boiling point of chemical1-(3-chlorophenyl)-4-(3-chloropropyl)piperazinewas estimated to be in the range of 330 degree C to 353.15 degree C.
Density:
Based on prediction done using ACD/I-Lab 2.0,the density of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be1.186 ± 0.06 g/cm3.
Other supporting study from authoritative database also indicates that the density of chemical 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was estimated to be 1.186 ± 0.06 g/cm3 at 20 degree C and 760 Torr pressure,which is same as selected key study value
Surface tension:
Based on the data from ACD labs, surface tension for test item 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was predicted to be 41.2 ± 3.0 dyne/cm.
Flash point:
The flash point determination of test substance 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine 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 110°C at 980.9 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:
1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is not auto-flammable.
Flammability:
1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine 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 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was considered non-flammable for chemical safety assessment.
Particle Size Distribution:
The particle size distribution of test item 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 150 micron to 10 micron.
Vapor Pressure:
MPBPVP v1.43 was used to estimate the vapor pressure of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine. The estimated vapour pressure of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine at 25 deg C was 0.00154 Pa.
Partition Coefficient:
KOWWIN v1.68 was used to estimate the octanol water partition coefficient of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine.The estimated octanol water partition coefficient (logPow) of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was 3.64.
Water Solubility:
WSKOW v1.42 was used to estimate the water solubility of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine.
The estimated water solubility of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine at 25 deg C was 140.1 mg/l.
This value suggests that 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine is moderately soluble in water.
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 oxidising properties and hence, the classification procedure does not need to be applied
Viscosity:
The study does not need to be conducted because the substance is a solid
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