Registration Dossier
Registration Dossier
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EC number: 249-323-0 | CAS number: 28950-61-0
Dissociation constant
Administrative data
Link to relevant study record(s)
- Endpoint:
- dissociation constant
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- Read-across based on grouping of substances (category approach). A detailed category justification is included in chapter 13 of this dossier.
- Reason / purpose for cross-reference:
- read-across source
- Dissociating properties:
- yes
- No.:
- #1
- pKa:
- -1.16
- Temp.:
- 25 °C
- Remarks on result:
- other: Sulphonate groups
- No.:
- #2
- pKa:
- -1.12
- Temp.:
- 25 °C
- Remarks on result:
- other: Sulphonate groups
- No.:
- #3
- pKa:
- -1.11
- Temp.:
- 25 °C
- Remarks on result:
- other: Sulphonate groups
- No.:
- #4
- pKa:
- -0.94
- Temp.:
- 25 °C
- Remarks on result:
- other: Sulphonate groups
- No.:
- #5
- pKa:
- 4.13
- Temp.:
- 25 °C
- Remarks on result:
- other: Triazinyl groups
- No.:
- #6
- pKa:
- 3.59
- Temp.:
- 25 °C
- Remarks on result:
- other: Triazinyl groups
- Conclusions:
- The calculated pKa for the test substance are: -1.16, -1.12, -1.11 and -0.94 at 25 °C for the sulfonate groups and 4.13 and 3.59 at 25 °C for the triazinyl groups.
- Executive summary:
The dissociation constant was estimated using the ACD/LogD, Version 12.00; Advanced Chemistry Development, Inc.: 2008.
Most relevant approximated apparent pKa values:
Sulfonate groups: pKa = -1.16 ± 0.5, pKa = -1.12 ± 0.5, pKa = -1.11 ± 0.5 and pKa = -0.94 ± 0.5
Triazinyl groups: pKa = 4.13 ± 0.1 and pKa = 3.59 ± 0.1
Under environmental conditions the substance dissociates completely in water.
Reference
Description of key information
pKa = -1.16, -1.12, -1.11 and -0.94 at 25 °C for the sulphonate groups and pka = 4.13 and 3.59 at 25 °C for the triazinyl groups.
Key value for chemical safety assessment
Additional information
Under environmental conditions the substance dissociates completely in water.
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.
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