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Physical & Chemical properties

Endpoint summary

Administrative data

Description of key information

Appearance:

Chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was observed to be dark red solid powder in appearance.

Melting point:

Melting point of chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was determined to be 359 degree C.

Boiling Point:

The study does not need to be conducted because the substance is a solid which melts above 300°C. Melting point of chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was determined to be 359 degree C.

Density:

Based on prediction done using ACD/I-Lab 2.0,the density  of chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was estimated to be 1.544 g/cm3 at 20 Deg C.

Particle size distribution:

The particle size distribution of 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione 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:

Data from handbooks and authoritative databases suggests that the estimated vapor pressure of 3H,3'H-2,2'-bi-1 -benzothiophene-3,3'-dione at 25 deg C was 6.61E-009 Pa.

Partition coefficient

Based on the available data from authoritative and modelling databases,the partition coefficient (log Pow) value of the substance 2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3 (2H)-onewas estimated to be 3.53. On the basis of this value, chemical 2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3 (2H)-onecan be considered to be hydrophobic in nature. 

Water solubility:

The water solubility determination of test substance 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was determine to be less than 1 mg/L. Thus chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione is considered to be slightly soluble in water.

Surface tension:

Based on the data from ACD labs, surface tension for test item 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was predicted to be 78.0 mN/m.

Flash point:

The flash point determination of test substance 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione 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 105 °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.

Auto flammability:

3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione is not auto-flammable.

Flammability:

3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione 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 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was considered non-flammable.

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.

Oxidizing properties:

The study does not need to be conducted because the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen 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:

Chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was observed to be dark red solid powder in appearance.

From other reliable sources chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was observed to be red to brown coloured needles from xylene and benzene in appearance

Melting point:

Melting point of chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was determined to be 359 degree C.

From other reliable sources melting point of chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was determined to be greater than 280 degree C.

Boiling Point:

The study does not need to be conducted because the substance is a solid which melts above 300°C. Melting point of chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was determined to be 359 degree C.

Density:

Based on prediction done using ACD/I-Lab 2.0,the density  of chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was estimated to be 1.544 g/cm3 at 20 Deg C.

Particle size distribution:

The particle size distribution of 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione 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:

Data from handbooks and authoritative databases suggests that the estimated vapor pressure of 3H,3'H-2,2'-bi-1 -benzothiophene-3,3'-dione at 25 deg C was 6.61E-009 Pa.

Partition coefficient

Based on the available data from authoritative and modelling databases,the partition coefficient (log Pow) value of the substance 2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3 (2H)-onewas estimated to be 3.53.

Additional studyfrommodelling databaseindicates that the octanol waterpartition coefficient (log Pow) value of the substance 2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3 (2H)-one was estimated to be 3.61 using OPERA V1.02.

Thus, based on the available information, the logPow valueof the test substance 2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3 (2H)-one ranges from 3.53 to 3.61, respectively. On the basis of this value, chemical 2-(3-oxobenzo[b]thien-2(3H)-ylidene)benzo[b]thiophene-3 (2H)-one can be considered to be hydrophobic in nature. 

Water solubility:

The water solubility determination of test substance 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was determine to be less than 1 mg/L. Thus chemical 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione is considered to be slightly soluble in water.

The solution (100 mg/L test item was weighed out) was prepared with dilution water in brown glass flask one day day prior to application.The stock solution was shaken with 20 rpm for 24 h (rotating shaker 3040, GFL). Undissolved particles were removed by centrifugation (20 min at 3000).

Surface tension:

Based on the data from ACD labs, surface tension for test item 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was predicted to be 78.0 mN/m.

Flash point:

The flash point determination of test substance 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione 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 105 °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.

Auto flammability:

3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione did not catch fire on being exposed to air at room temperature of 27°Cpressure of 966 hPa. This indicates that 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione is not auto-flammable.

Flammability:

3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione 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 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione is not flammable at high temperature. However since such high temperatures are not found under normal circumstances of transportation and use, thus 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione was considered non-flammable.

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.

Oxidizing properties:

The study does not need to be conducted because the organic substance contains oxygen or halogen atoms which are chemically bonded only to carbon or hydrogen 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.