Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
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EC number: 230-949-8 | CAS number: 7381-01-3
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Guideline:
- other: REACH guidance on QSARs R.6,May/June 2008
- Principles of method if other than guideline:
- general method for pKa
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- ca. 0.36
- Temp.:
- 25 °C
Reference
The calculation has been run by SPARK On-line calculator :
Current implementations (selected references):
Major reference:Hilal, Said, S. W. Karickhoff and L. A. Carreira,
"A Rigorous Test for SPARC's Chemical Reactivity Models: Estimation of
More Than 4300 Ionization pKa's," Quant. Struc. Act. Rel., 14, 348 1995.
Description of key information
pKa value is predicted to be 0.36 at 25 °C.
Key value for chemical safety assessment
- pKa at 20°C:
- 0.36
Additional information
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
