Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2011
Report date:
2011

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 112 (Dissociation Constants in Water)
GLP compliance:
yes

Test material

Constituent 1
Chemical structure
Reference substance name:
Tetrapotassium 5,5'-{ethane-1,2-diylbis[thio-1,3,4-thiadiazole-5,2-diyldiazene-2,1-diyl(5-amino-3-tert-butyl-1H-pyrazole-4,1-diyl)]}diisophthalate
EC Number:
700-616-6
Cas Number:
849608-59-9
Molecular formula:
C36H32K4N14O8S4
IUPAC Name:
Tetrapotassium 5,5'-{ethane-1,2-diylbis[thio-1,3,4-thiadiazole-5,2-diyldiazene-2,1-diyl(5-amino-3-tert-butyl-1H-pyrazole-4,1-diyl)]}diisophthalate

Results and discussion

Dissociation constant
No.:
#1
pKa:
ca. 5.48
Temp.:
22 °C

Any other information on results incl. tables

 Weight sample (g)  pKa measured
 0.1083  5.48
 0.1953  5.63
 0.3083  5.57

Applicant's summary and conclusion