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Diss Factsheets

Physical & Chemical properties

Dissociation constant

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Administrative data

Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
Experimental phase: 23 February 2011 to 21 April 2011. Report issued 12 July 2011.
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:
other: Not stated in the report but considered to be OECD 112 method
GLP compliance:
yes

Test material

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

Results and discussion

Dissociating properties:
not determined
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

Conclusions:
The test substance pKa was determined to be 5.48 at 22ºC.
Executive summary:

Introduction

The study was conducted to determine the dissociation constant of the test susbtance. The method was not stated in the report but was considered to be compliant with OECD 112 "Dissociation Constants in Water"

Results and Conclusion

The test substance pKa was determined to be 5.48 at 22ºC.