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EC number: 208-336-1 | CAS number: 522-75-8
Density
Administrative data
Link to relevant study record(s)
- 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.
Reference
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.
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