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Dissociation constant

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Reference
Endpoint:
dissociation constant
Type of information:
experimental study
Adequacy of study:
key study
Study period:
30.11.2011 - 14.12.2011
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
test procedure in accordance with generally accepted scientific standards and described in sufficient detail
Justification for type of information:
Experimental test result performed using standard test guidelines
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
Measurement of capacity of a compound to dissociate into respective ions.
GLP compliance:
no
Specific details on test material used for the study:
- Name of test material: 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, sodium salt
- IUPAC name: 1,2-Benzisothiazol-3(2H)-one 1,1-dioxide, sodium salt
- Molecular formula: C7H4NNaO3S
- Molecular weight: 205.169 g/mole
- Smiles: c12c(C(=O)[NH-]S1(=O)=O)cccc2.[Na+]
- InChI: 1S/C7H5NO3S.Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);/q;+1/p-1
- Substance type: organic
- Physical state: Solid crystalline powder (white)
- Purity: 99.66%
Dissociating properties:
yes
No.:
#1
pKa:
0.003
Temp.:
25 °C
Remarks on result:
other: no other details mentioned
Conclusions:
The experimental pKa value for 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, sodium salt (CAS No. 128-44-9) was found to be 0.00316 at 25 degC indicating that it has dissociation properties.
Executive summary:

The experimental pKa value for 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, sodium salt (CAS No. 128-44-9) was found to be 0.00316 at 25 degC indicating that it has dissociation properties.

Description of key information

The experimental pKa value for 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, sodium salt (CAS No. 128-44-9) was found to be 0.00316 at 25 degC indicating that it has dissociation properties.

Key value for chemical safety assessment

pKa at 20°C:
0.003

Additional information

The experimental pKa value for 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, sodium salt (CAS No. 128-44-9) was found to be 0.00316 at 25 degC indicating that it has dissociation properties.