Registration Dossier
Registration Dossier
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EC number: 273-987-0 | CAS number: 69399-79-7
Endpoint summary
Administrative data
Description of key information
Appearance / physical state / colour:
The appearance of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride was observed as white colored organic solid powder compound.
Melting point/ Freezing point:
Based on prediction done using MPBPVP v1.43, the melting point of chemical 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride was estimated to be 123.18˚C.
Boiling point:
The boiling point of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride was predicted as 368.3 ± 42.0 °C at 760 mmHg.
Density:
The density of chemical 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride was estimated to be 1.445 ± 0.06 g/cm3, at 20 °C and 760 mmHg pressure.
Particle size distribution (Granulometry):
The particle size distribution of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride 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:
The estimated vapour pressure of the substance 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride at 25 deg C was 0.00193 Pa.
Partition coefficient:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride (CAS no. 69399 -79 -7).The estimated log POW of the test substance3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloridewas 2.81. Based on the estimated value, the test substance3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloridecan be considered hydrophillic in nature.
Water solubility:
The estimated water solubility of substance 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride at 25 deg C was 68.42 mg/l
Surface tension:
The surface tension for chemical 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride was predicted to be 45.8 ± 3.0 dyne/cm.
Flash point:
The flash point of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride was estimated as 176.5 ± 27.9 °C.
Autoflammability:
3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 3 -(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride is not auto-flammable.
Flammability:
3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride 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 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride 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.
Additional information
Appearance / physical state / colour:
Based on available data from obtained reports, the appearance of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride was observed as white colored organic solid powder compound.
Melting point/ Freezing point:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride was predicted.
The melting point of chemical 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride was estimated to be 123.18˚C
Boiling point:
Based on prediction done using ACD/I-Lab 2.0 and Scifinder, the boiling point of 3-(2-chloro-6-fluorophenyl)-5-methyl- 1,2-oxazole-4-carbonyl chloride was predicted as 368.3 ± 42.0 °C at 760 mmHg.
Density:
Based on prediction done using ACD/I-Lab 2.0 and Scifinder, the density of chemical 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole -4-carbonyl chloride was estimated to be 1.445 ± 0.06 g/cm3, at 20 °C and 760 mmHg pressure.
Particle size distribution (Granulometry):
The particle size distribution of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride 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 test substance 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the substance 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride at 25 deg C was 0.00193 Pa.
Partition coefficient:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride (CAS no. 69399 -79 -7).The estimated log POW of the test substance3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloridewas 2.81. Based on the estimated value, the test substance3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloridecan be considered hydrophillic in nature.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of the substance 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride.
The estimated water solubility of the substance 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride at 25 deg C was 68 .42 mg/l
Based on the estimated value, the substance 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride 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 3-(2-chloro-6-fluorophenyl) -5-methyl-1,2-oxazole-4-carbonyl chloride was predicted to be 45.8 ± 3.0 dyne/cm.
Flash point:
Based on available data from authoritative database Scifinder, the flash point of 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole -4-carbonyl chloride was estimated as 176.5 ± 27.9 °C.
Thus accroding to estimated value the given chemical was not classified as flammable.
Autoflammability:
3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 3 -(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride is not auto-flammable.
Flammability:
3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride 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 3-(2-chloro-6-fluorophenyl)-5-methyl -1,2-oxazole-4-carbonyl chloride is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride 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.
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