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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method

Data source

Reference
Reference Type:
other: unpublished calculation
Title:
Unnamed
Year:
2018

Materials and methods

Principles of method if other than guideline:
The n-octanol/water partition coefficient log Pow was calculated via EPIWIN v4.11, KOWWIN v1.68
GLP compliance:
no
Type of method:
other: calculation

Test material

1
Chemical structure
Reference substance name:
1,4-dihydro-5,7-dinitrobenzofurazan-4-ol 3-oxide, potassium salt
EC Number:
249-543-7
EC Name:
1,4-dihydro-5,7-dinitrobenzofurazan-4-ol 3-oxide, potassium salt
Cas Number:
29267-75-2
Molecular formula:
C6H3N4O7.K
IUPAC Name:
4,6-Dinitro-7-hydro-7-hydroxy-1-oxido-2,1,3-benzoxadiazol-1-ium-at, Kaliumsalz
Test material form:
solid

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
1.53
Temp.:
25 °C
Remarks on result:
other: Value estimated by generally accepted calculation method.

Applicant's summary and conclusion

Conclusions:
The log Pow of the test item was calculated to be 1.53 at 25°C.
Executive summary:

The n-octanol/water partition coefficient log Pow was calculated via EPIWIN v4.11, KOWWIN v1.68. The calculation yielded a log Pow=1.53 at 25°C.