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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
10 May 2017 to 30 November 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

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

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
GLP compliance:
yes
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-1H-imidazole
EC Number:
230-555-6
EC Name:
2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenyl-2H-imidazol-2-yl]-4,5-diphenyl-1H-imidazole
Cas Number:
7189-82-4
Molecular formula:
C42H28Cl2N4
IUPAC Name:
2,2'-bis(2-chlorophenyl)-4,4',5,5'-tetraphenyl-2'H-1,2'-biimidazole
Test material form:
solid: crystalline
Details on test material:
Appearance: Yellow crystalline powder
Test item storage: At room temperature
Stable under storage conditions until: 01 February 2018 (expiry date)

Study design

Analytical method:
other: not applicable

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
7.6
Temp.:
35 °C
pH:
9
Details on results:
The Pow of the substance was calculated to be 2.9 ± 1011 (log Pow 11.46) using the Rekker calculation method.
The pKa Values of the substances
Acidic Basic
none RC6H5C=NH2+ pKa 5.97
RC6H5C=NH2+ pKa 5.36
1-SUBST.-IMIDAZOLE pKa 3.05

regression line of reference substances: log k’ = 0.280 ´ log Pow – 0.740 (r = 0.997, n = 14)

Any other information on results incl. tables

Substance

Retention time (min)

log Pow

Pow

tr,1

tr,2

mean

Formamide (t0)

0.625

0.627

0.626

 

 

1,4-Dichlorobenzene

1.648

1.642

 

3.4

 

Biphenyl

2.088

2.079

 

4.0

 

1,2,4-Trichlorobenzene

2.455

2.444

 

4.2

 

Dibenzyl

3.132

3.115

 

4.8

 

Triphenylamine

5.144

5.122

 

5.7

 

4,4’-DDT

7.229

7.193

 

6.5

 

Benzo[ghi]perylene

13.669

13.661

 

7.2

 

Test item – peak 1

15.402

15.524

15.463

7.6

3.6E7

Applicant's summary and conclusion

Conclusions:
The logPow of the substance is 7.6.
Executive summary:

Using the column elution method, the logPow of the substance was determined to be 7.6.