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EC number: 240-006-2 | CAS number: 15876-40-1
Endpoint summary
Administrative data
Description of key information
Appearance / physical state / colour:
The appearance of Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt was observed as, Yellow - Deep green colored solid crystal-powder organic compound.
Melting point/ Freezing point:
Based on prediction done using MPBPVP v1.43, the melting point of chemical Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt was estimated to be 349.84 ˚C.
Boiling point:
Based on prediction done using MPBPVP v1.43, the Boiling point of chemical Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene] cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt was estimated to be 895.90 ˚C
Density:
The density of chemical Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt was estimated to be 1.35 ± 0.06 g/cm3, at 20 °C and 760 mmHg pressure.
Particle size distribution (Granulometry):
The particle size distribution of Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene] diethylammonium, aluminium salt was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 146 micron to 51 micron.
Vapour pressure:
The estimated vapour pressure of the substance Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene] cyclohexa-2,5-dien-1 -ylidene]diethylammonium, aluminium salt at 25 deg C was 8.46E-026 Pa.
Partition coefficient:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substanceHydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt(CAS no. 15876 -40 -1). The partition coefficient (log Pow) value of the substanceHydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium saltwas estimated to be 0.8599.
Water solubility:
The estimated water solubility of substance Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene] diethylammonium, aluminium salt at 25 deg C was 0.6598 mg/l
Surface tension:
The surface tension for chemical Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene] diethylammonium, aluminium salt was predicted to be 55.89 ± 3.0 dyne/cm.
Flash point:
The study does not need to be conducted because the flash point is only relevant to low melting point solids, and the given test chemical Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt has melting point is above 300°C i.e at 349.84°C, hence this study considerd to be waiver.
Autoflammability:
Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Hydrogen [4-[4-(diethylamino) -2',4'-disulphonatobenzhydrylidene] cyclohexa-2,5-dien-1-ylidene]diethylammonium is not auto-flammable.
Flammability:
Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium (15876-40-1) 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 Hydrogen [4-[4-(diethylamino)- 2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Hydrogen [4-[4-(diethylamino)-2',4'- disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium 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:
The appearance of Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt was observed as, Yellow - Deep green colored solid crystal-powder organic compound.
Melting point/ Freezing point:
Based on the prediction done using the EPI Suite MPVPBP V1.43, the melting point of chemical Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt was predicted.
The melting point of chemical Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt was estimated to be 349.84 ˚C.
Boiling point:
Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of chemical Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene] cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt was predicted.
The boiling point of chemical Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene] cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt was estimated to be 895.90 ˚C.
Density:
Based on prediction done using ACD/I-Lab 2.0 and Scifinder, the density of chemicalHydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5 -dien-1 -ylidene]diethylammonium, aluminium saltwas estimated to be 1.35 ± 0.06 g/cm3, at 20 °C and 760 mmHg pressure.
Particle size distribution (Granulometry):
The particle size distribution of Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene] diethylammonium, aluminium salt was determined by granulometric analysis with rotap sieve shaker. The particle size distribution was determined to be in the range of 146 micron to 51 micron.
Vapour pressure:
Modified Grain method (Mean of Antoine and Modified Grain methods) was used to estimate the vapour pressure of the substance Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene] diethylammonium, aluminium salt using MPBPVP v1.43 of EPI SUITE.
The estimated vapour pressure of the substance Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5 -dien-1 -ylidene] diethylammonium, aluminium salt at 25 deg C was 8.46E-026 Pa.
Partition coefficient:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substanceHydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt(CAS no. 15876 -40 -1). The partition coefficient (log Pow) value of the substanceHydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium saltwas estimated to be 0.8599.
Water solubility:
WSKOW v1.42 was used to estimate the water solubility of the substance Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene] cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt.
The estimated water solubility of the substance Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene] cyclohexa-2,5-dien-1-ylidene diethylammonium, aluminium salt at 25 deg C was 0.6598 mg/l.
Based on the estimated value, the substance Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene] cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt was slightly soluble in water.
Surface tension:
Based on the prediction done by ACD labs Software (v12.1.0.50375), the surface tension for chemical Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt was predicted to be 55.89 ± 3.0 dyne/cm.
Flash point:
The study does not need to be conducted because the flash point is only relevant to low melting point solids, and the given test chemical Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium, aluminium salt has melting point is above 300°C i.e at 349.84°C, hence this study considerd to be waiver.
Autoflammability:
Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium did not catch fire on being exposed to air at room temperature of 27°C pressure of 966 hPa. This indicates that Hydrogen [4-[4-(diethylamino) -2',4'-disulphonatobenzhydrylidene] cyclohexa-2,5-dien-1-ylidene]diethylammonium is not auto-flammable.
Flammability:
Hydrogen [4-[4-(diethylamino)-2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium (15876-40-1) 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 Hydrogen [4-[4-(diethylamino)- 2',4'-disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus Hydrogen [4-[4-(diethylamino)-2',4'- disulphonatobenzhydrylidene]cyclohexa-2,5-dien-1-ylidene]diethylammonium 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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