Registration Dossier
Registration Dossier
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EC number: 700-936-6 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 013
- Report date:
- 2013
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- shake-flask method to: flask method
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- tetrasodium 4-[(E)-2-[2-(carbamoylamino)-4-[(2,6-difluoropyrimidin-4-yl)amino]phenyl]diazen-1-yl]benzene-1,3-disulfonate 4-[(E)-2-[2-(carbamoylamino)-4-[(4,6-difluoropyrimidin-2-yl)amino]phenyl]diazen-1-yl]benzene-1,3-disulfonate
- EC Number:
- 700-936-6
- Molecular formula:
- C17H11F2N7Na2O7S2
- IUPAC Name:
- tetrasodium 4-[(E)-2-[2-(carbamoylamino)-4-[(2,6-difluoropyrimidin-4-yl)amino]phenyl]diazen-1-yl]benzene-1,3-disulfonate 4-[(E)-2-[2-(carbamoylamino)-4-[(4,6-difluoropyrimidin-2-yl)amino]phenyl]diazen-1-yl]benzene-1,3-disulfonate
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- ca. -2.1
- Temp.:
- 20 °C
- Remarks on result:
- other: calculated from the solubilities in water and n-octanol
- Details on results:
- Due to this low value, neither the HPLC method nor the shake flask method are appropriate methods for detenmining the partition coefficient of the test item. Thus, the solubility in n-octanol was determined by means of the flask method, which is also used for the determination of the water solubility.
Applicant's summary and conclusion
- Conclusions:
- logPow = -2,2 (main constituent) and logPow = -2,1 (Isomere 1)
- Executive summary:
The partition coefficient at 20°C of the main constituent and isomer 2 of the test item Reactive Golden Yellow HF-RN 1331 was calculated from the solubilities in water and n-octanol:
Main constituent: Pow = 6.11*10-3
log Pow = -2.2
Isomer 2: Pow = 8.28*10-3
log Pow = -2.1
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