Registration Dossier
Registration Dossier
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EC number: 248-983-7 | CAS number: 28348-53-0
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- This value is derived using an accepted calculation method.
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR model
- Principles of method if other than guideline:
- Structure-based QSAR property prediction by means of linear free energy relationships and molecular orbital properties.
This value is derived using an accepted calculation method. - GLP compliance:
- no
- Remarks:
- not applicable. QSAR model
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- < 2
- Temp.:
- 20 °C
- Conclusions:
- A dissociation constant value of <2.0 was obtained using an accepted calculation method. The result is considered to be reliable
- Executive summary:
- A dissociation constant value of <2.0 was obtained using an accepted calculation method. The result is considered to be reliable
- Endpoint:
- dissociation constant
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the substance is readily oxidisable in water
- other:
Referenceopen allclose all
The dissociation constant is determinated to be pka <2.0 at 20°C.
Description of key information
Key value for chemical safety assessment
- pKa at 20°C:
- 2
Additional information
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