Registration Dossier
Registration Dossier
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EC number: 229-066-0 | CAS number: 6408-72-6
Endpoint summary
Administrative data
Description of key information
Appearance / physical state / colour:
The appearance of 1,4-diamino-2,3-diphenoxyanthraquinone was observed to be violet colored odourless organic solid powder compound.
Melting point/ Freezing point:
Based on prediction done using MPBPVP v1.43, the melting point of chemical 1,4-diamino-2,3-diphenoxyanthraquinone was estimated to be 278.53 ˚C.
Boiling point:
The boiling point of 1,4-diamino-2,3-diphenoxyanthraquinone was determined to be 539.06 °C.
Density:
The density of 1,4-diamino-2,3-diphenoxyanthraquinone was determined to be 1.2876 g/cm3 at 25 °C.
Particle size distribution (Granulometry):
The particle size distribution of 1,4-diamino-2,3-diphenoxyanthraquinone 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 1,4-diamino-2,3-diphenoxyanthraquinone at 25 deg C was 1.34E-011 Pa.
Partition coefficient:
The estimated logPOW of 1,4-diamino-2,3-diphenoxyanthraquinone was 5.59.
Water solubility:
The estimated water solubility of test substance 1,4-diamino-2,3-diphenoxyanthraquinone at 25 deg C was 0.00637 mg/l.
Surface tension:
Based on the prediction done by ACD labs, the surface tension for chemical 1,4-diamino-2,3-diphenoxyanthraquinone was predicted to be 68.0 ± 3.0 dyne/cm
Flash point:
The flash point of 1,4-diamino-2,3-diphenoxyanthraquinone was estimated to be 239.6 ± 27.8 °C.
Autoflammability:
1,4-diamino-2,3-diphenoxyanthraquinone did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 1,4-diamino-2,3-diphenoxyanthraquinone is not auto-flammable.
Flammability:
1,4-diamino-2,3-diphenoxyanthraquinone 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 1,4-diamino-2,3-diphenoxyanthraquinone is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 1,4-diamino-2,3-diphenoxyanthraquinone 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.
Stability in organic solvents and identity of relevant degradation products :
The study does not need to be conducted because the stability of the substance is not considered to be critical.
pH:
The pH of 1,4-diamino-2,3-diphenoxyanthraquinone was determined to be 7.00 ± 1.00.
Dissociation constant:
The pKa (dissociation constant) of 1,4-diamino-2,3-diphenoxyanthraquinone is estimated to be 0.30 ± 0.20 at 25 °C.
Viscosity:
The study does not need to be conducted because the given substance 1,4-diamino-2,3-diphenoxyanthraquinone is solid in nature. Hence study of this end point is considered to be waiver.
Additional information
Appearance / physical state / colour:
Based on available data from obtained report, the appearance of 1,4-diamino-2,3-diphenoxyanthraquinone was observed to be violet colored odourless 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 1,4-diamino-2,3 -diphenoxyanthraquinone was predicted.
The melting point of chemical 1,4-diamino-2,3-diphenoxyanthraquinone was estimated to be 278.53 ˚C
Boiling point:
Based on available data from handbook, the boiling point of 1,4-diamino-2,3-diphenoxyanthraquinone was determined to be 539.06 °C.
Density:
Based on available data from handbook, the density of 1,4-diamino-2,3-diphenoxyanthraquinone was determined to be 1.2876 g/cm3 at 25 °C.
Other supporting data from ACD/I-Lab 2.0 and Scifinder, also supported the selected key study and estimated the density for 1,4 -diamino-2,3-diphenoxyanthraquinone as 1.385 ± 0.06 g/cm3 at 20 °C and 760 mmHg pressure.
Particle size distribution (Granulometry):
The particle size distribution of 1,4-diamino-2,3-diphenoxyanthraquinone 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 1,4-diamino-2,3-diphenoxyanthraquinone using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the test substance 1,4-diamino-2,3-diphenoxyanthraquinone at 25 deg C was 1.34E-011 Pa.
Partition coefficient:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of 1,4-diamino-2,3-diphenoxyanthraquinone.
The estimated logPOW of 1,4-diamino-2,3-diphenoxyanthraquinone was 5.59.
Based on the estimated value, 1,4-diamino-2,3-diphenoxyanthraquinone can be considered hydrophobic in nature, which is also supported by the water solubility of 1,4-diamino-2,3-diphenoxyanthraquinone.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of the test substance 1,4-diamino-2,3-diphenoxyanthraquinone.
The estimated water solubility of the test substance 1,4-diamino-2,3-diphenoxyanthraquinone at 25 deg C was 0.00637 mg/l.
Based on the estimated value, the test substance 1,4-diamino-2,3-diphenoxyanthraquinone was considered to be insoluble in water.
Surface tension:
Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical 1,4-diamino-2,3 -diphenoxyanthraquinone was predicted to be 68.0 ± 3.0 dyne/cm.
Flash point:
Based on available data from authoritative database Scifinder, the flash point of 1,4-diamino-2,3-diphenoxyanthraquinone was estimated to be 239.6 ± 27.8 °C. On the basis of estimated value the compound 1,4-diamino-2,3-diphenoxyanthraquinone was considered to be non flammable.
Autoflammability:
1,4-diamino-2,3-diphenoxyanthraquinone did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that 1,4-diamino-2,3-diphenoxyanthraquinone is not auto-flammable.
Flammability:
1,4-diamino-2,3-diphenoxyanthraquinone 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 1,4-diamino-2,3-diphenoxyanthraquinone is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 1,4-diamino-2,3-diphenoxyanthraquinone 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.
Stability in organic solvents and identity of relevant degradation products :
The study does not need to be conducted because the stability of the substance is not considered to be critical.
pH:
Based on available data from obtained report, the pH of 1,4-diamino-2,3-diphenoxyanthraquinone was determined to be 7.00 ± 1.00.
Dissociation constant:
Based on available data from authoritative database Scifinder, the pKa (dissociation constant) of 1,4-diamino-2,3-diphenoxyanthraquinone is estimated to be 0.30 ± 0.20 at 25 °C.
Viscosity:
The study does not need to be conducted because the given substance 1,4-diamino-2,3-diphenoxyanthraquinone is solid in nature. Hence study of this end point is considered to be waiver.
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