Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
13.08.2012 to 04.09.2012
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other:
Principles of method if other than guideline:
Measurement of capacity of a compound to dissociate into respective ions.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
EC Number:
279-900-2
EC Name:
1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
Cas Number:
82104-74-3
Molecular formula:
C9H5NO2
IUPAC Name:
1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
Test material form:
solid: crystalline
Details on test material:
- Name of test material: 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile
- Molecular formula: C9H5NO2
- Substance type: Organic
- Physical state: Solid

Results and discussion

Dissociation constantopen allclose all
No.:
#1
pKa:
0
Temp.:
30 °C
Remarks on result:
other: 0.0000000914 (0.914 x 10-7)
No.:
#2
pKa:
0
Temp.:
30 °C
Remarks on result:
other: 0.0000000913 (0.913 x 10-7)
No.:
#3
pKa:
0
Temp.:
30 °C
Remarks on result:
other: 0.0000000916 (0.916 x 10-7)

Applicant's summary and conclusion

Conclusions:
The experimental pKa value for 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile was found to be 0.0000000914,0.0000000913,0.000000092 at 30 degC indicating that it has dissociation properties.
Executive summary:

The experimental pKa value for 1,3-dihydro-1-oxoisobenzofuran-5-carbonitrile was found to be 0.0000000914,0.0000000913,0.000000092 at 30 degC indicating that it has dissociation properties.

Categories Display