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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
Reported 19Jan2018
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
GLP compliance:
no
Other quality assurance:
other: ISO9001
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
N,N,N-trimethyl-3-nitroanilinium chloride
EC Number:
252-279-5
EC Name:
N,N,N-trimethyl-3-nitroanilinium chloride
Cas Number:
34907-26-1
Molecular formula:
C9H13N2O2.Cl
IUPAC Name:
N,N,N-trimethyl-3-nitroanilinium chloride
Test material form:
solid
Details on test material:
Fine powder used for physical chemistry testing
Specific details on test material used for the study:
Nitri
Batch Number 17-03-01

Study design

Analytical method:
photometric method

Results and discussion

Partition coefficient
Key result
Type:
Pow
Partition coefficient:
0.001
Temp.:
20 °C
pH:
ca. 7
Details on results:
Abs in octan-1-ol 0.161736@ 252nm
Abs in water 0.302174@254nm (400 fold dilution required to get the abs in range)

0.161736 / 120.87 = 1.33×10-3

Applicant's summary and conclusion

Conclusions:
The Pow measured uing the shake flask method was found to be 1.33×10-3.
Executive summary:

The Pow measured uing the shake flask method was found to be 1.33×10-3.