Registration Dossier
Registration Dossier
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EC number: 204-886-1 | CAS number: 128-44-9
Dissociation constant
Administrative data
Link to relevant study record(s)
- 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
- 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.
Reference
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.
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