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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
From 31 Jan 2014 to 10 July 2014
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP study, OECD 107 compliant.

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2014
Report date:
2014

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Remarks:
23/01/2014
Type of method:
shake-flask method to: flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
-
EC Number:
435-300-4
EC Name:
-
Cas Number:
82113-65-3
Molecular formula:
C2HNO4F6S2
IUPAC Name:
1,1,1-trifluoro-N-trifluoromethanesulfonylmethanesulfonamide
Test material form:
solid: crystalline

Study design

Analytical method:
other: LC-MS/MS

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
-0.771
Temp.:
25.5 °C
pH:
6.7

Any other information on results incl. tables

The test was run in duplicate with three different solvent ratios for each pH. The results obtained are summarised below : 

The values of Log (Pow) agree well with OECD 107 requirements (less than 0.3 units deviation between lowest and highest values of Log (Pow)).

 

Pow

Log (Pow)

pH 3.7 (25.5°C)

0.161 ± 0.023

- 0.795 ± 0.063

pH 6.7 (25.5°C)

0.172 ± 0.033

- 0.771 ± 0.081

pH 8.5 (23.8°C)

0.057 ± 0.006

- 1.246 ± 0.043.

Applicant's summary and conclusion

Conclusions:
Log kow of bis trifluoromethanesulfonimide was -0.771 at pH 6.7 and 25.5°C.
Executive summary:

The objective of the study was to determine the partition coefficient of bis trifluoromethanesulfonimide, according to the OECD 107 and under GLP conditions.

The shake flask method was used, coupled with LC-MS/MS analysis.

In these conditions, log kow was -0.771 at pH 6.7 and 25.5°C.