5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(ethylsulfinyl)-1H-pyrazole-3-carbonitrile

Solubility in organic solvents / fat solubility

Link to relevant study record(s)

Reference

Endpoint:

solubility in organic solvents / fat solubility

Type of information:

experimental study

Adequacy of study:

key study

Study period:

30 Apr 1998 - 9 Aug 1999

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

other: OECD Guideline 105

Qualifier:

according to guideline

Guideline:

other: EPA OPPTS 830.7840a

GLP compliance:

yes

Medium:

acetone

Solubility:

90.7 g/L

Temp.:

20 °C

Medium:

ethyl acetate

Solubility:

24 g/L

Temp.:

20 °C

Medium:

methanol

Solubility:

47.2 g/L

Temp.:

20 °C

Medium:

acetonitrile

Solubility:

24.5 g/L

Temp.:

20 °C

Medium:

other: dichloromethane

Solubility:

19.9 g/L

Temp.:

20 °C

Medium:

other: n-heptane

Solubility:

0.004 g/L

Temp.:

20 °C

Medium:

toluene

Solubility:

1 g/L

Temp.:

20 °C

Medium:

n-octanol

Solubility:

2.4 g/L

Temp.:

20 °C

The approx. solubilities obtained at ambient temperature for the set of solvents studied are:

Solvent	appr. Solubility / g/L	Solubility at 20 °C / g/L
acetone	100 – 200	90.7
ethyl acetate	10 – 50	24.0
methanol	10 – 50	47.2
acetonitrile	10 – 50	24.5
dichloromethane	10 – 50	19.9
n-heptane	< 0.1	0.004
Toluene	1 – 10	1.0
n-octanol	1 – 10	2.4

 

 

Solvent	Initial content / g/L	Final content / g/L	Recovery / %
acetone	24.7	24.8	100.4
ethyl acetate	7.2	7.2	100.0
methanol	11.9	12.0	100.8
acetonitrile	7.9	8.1	102.5
dichloromethane	6.6	5.9	89.0
n-heptane	0.002	0.002	100.0
Toluene	0.41	0.41	100.0
n-octanol	0.35	0.35	100.00

Recoveries obtained for diluted solutions stored and filtered under the same operating conditions as the test sample, were between 89 and 103%. Therefore the method was found to be accurate and the test item stable in each solvent under the testing conditions used. The chromatographic profiles were also examined and no significant change was detected in the size or number of peaks observed.

Description of key information

Soluble and stable in 8 different solvents (acetone, ethyl acetate, methanol, acetonitrile, dichloromethane, n-heptane, toluene, n-octanol. For exact data see Additional information.

Additional information

The solubility of the test item was determined with flask method according to EPA OPPTS 830.7840.

Solvent	Solubility at 20 °C (g/L)
Acetone	90.7
Ethyl acetate	24.0
Methanol	47.2
Acetonitrile	24.5
Dichloromethane	19.9
n-Heptane	0.004
Toluene	1.0
n-Octanol	2.4