3,4-dichlorobenzonitrile

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

january - march 1997

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Qualifier:

according to guideline

Guideline:

other: EEC directive 92/69 EEC, Part A

GLP compliance:

yes

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Analytical method:

high-performance liquid chromatography

Key result

Type:

log Pow

Partition coefficient:

2.8

Temp.:

21.5 °C

Remarks on result:

other: The temperature of the mobile phase was 21.5 - 23.5 °C during the measurements.

Preliminary test:

In order to obtain some information about the number of test substance peaks, the test solution, 2,4 -DDT and the corresponding blank solution (mobile phase) were injected in a HPLC system with mobile phase 75/25 (v/v) metahnol/Milli-Q water. The resultant chromatograms were recorded for 30 minutes. In the HPLC chromatograms of 3,4 -Dichlorobenzonitrile, using detection at 210 nm, one large test substance peak was observed.

Main test:

The solutions were injected in a HPLC system with mobile phase 40/60 (v/v) methanol/Milli-Q water in the following sequence: the mixture of reference substances, mobile phase, the formamide solution, the test solution (in duplicate), mobile phase, the mixture of reference substance and the formamide solution. The chromatograms were recorded approximately 130 minutes.

The t₀ was determined to be 0.92 minutes as a mean value of both measurements (i. e. 0.91 and 0.92 minutes).

The mean value of the retention times, k`values, log k`values, log P_ow and P_ow values are summarized in Table 2.

Table 2: Results of the test.

Substance	tr^1	k`	log k`	log Pow	Pow
Ethylmethylketone	1.67	0.820	-0.086	0.3
Benzylalcohol	3.18	2.475	0.394	1.1
Nitrobenzene	8.75	8.557	0.932	1.9
Toluene	29.32	31.038	1.492	2.7
bromobenzene	42.19	45.115	1.654	3.0
1,4-Dichlorobenzene	79.05	85.393	1.931	3.4
Test substance Peak 1	30.20	32.005	1.505	2.8^2	5.7 x 10^2

¹: Mean value of the retention times of both chromatograms

²: Interpolated from the regression line: y = 0.656x – 0.303 (r = 1.000, n = 6)

Note: The calculations were performed using not rounded values.

Conclusions:

The partition coefficient (n-octanol/water) for 3,4-Dichlorobenzonitrile was determined to be 0.057 (log Pow = 2.8)

Executive summary:

The HPLC method was chosen for the determination of the partition coefficient (n-octanol/water) of 3,4 -Dichlorobenzonitrile. The test was based on the OECD Guideline No. 117. In the HPLC chromatograms of 3,4 Dichlorobenzonitrile using spectrophtometric detection at 210 nm, 1 test substance peak was observed and therefore one P_ow value was determined: 5.7 x 10² (log P_ow = 2.8).

Description of key information

The partition coefficient (n-octanol/water - Kow value) of 3,4-Dichlorobenzonitrile was determined to be 5.7 x 10^2

(log Kow= 2.8) using the HPLC method (OECD 117).

Key value for chemical safety assessment

Log Kow (Log Pow):

2.8

at the temperature of:

21.5 °C

Additional information

The HPLC method was chosen for the determination of the partition coefficient (n-octanol/water) of 3,4 -Dichlorobenzonitrile. The test was based on the OECD Guideline No. 117. In the HPLC chromatograms of 3,4 Dichlorobenzonitrile using spectrophtometric detection at 210 nm, 1 test substance peak was observed and therefore one P_owvalue was determined: 5.7 x 10²(log P_ow= 2.8).