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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Physical & Chemical properties

Density

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Administrative data

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Reference
Endpoint:
density, other
Remarks:
Density
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Predicted data from ACD/Labs
Qualifier:
according to guideline
Guideline:
other: as mentioned below
Principles of method if other than guideline:
ACD/I-Lab accepts smiles of 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione and predicted data for density using v12.1.0.50375.
GLP compliance:
not specified
Type of method:
other: Predicted data from ACD/Labs
Specific details on test material used for the study:
- Name of test material (as cited in study report): 3H,3'H-2,2'-bi-1-benzothiophene-3,3'-dione
- Molecular formula : C16H8O2S2
- Molecular weight: 296.369 g/mol
- Smiles notation : O=C1c2c(S\C1=C1/Sc3c(cccc3)C1=O)cccc2
- InChl : 1S/C16H8O2S2/c17-13-9-5-1-3-7-11(9)19-15(13)16-14(18)10-6-2-4-8-12(10)20-16/h1-8H/b16-15-
- Substance type:Organic
- Physical state:Solid
Key result
Type:
density
Density:
1.544 g/cm³
Temp.:
20 °C
Remarks on result:
other: Estimated value=1.544 ± 0.06 g/cm3
Conclusions:
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.
Executive summary:

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.

Description of key information

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.

Key value for chemical safety assessment

Additional information

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.