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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Study period:
19 June 2009 - 31 August 2009
Reliability:
1 (reliable without restriction)

Data source

Reference
Title:
Unnamed
Year:
2009
Report date:
2009

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 105 (Water Solubility)
Deviations:
yes
Remarks:
; view full study
Qualifier:
according to guideline
Guideline:
EU Method A.6 (Water Solubility)
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
EC Number:
700-455-1
Cas Number:
380843-75-4
Molecular formula:
C26H29Cl2N5O3
IUPAC Name:
4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
Details on test material:
Equipment
HPLC System: Agilent Series 1200
HPLC Column: Phenomenex Luna 3u C18(2), 100A, 150x4.6mm

Results and discussion

Water solubilityopen allclose all
Water solubility:
>= 0.003 - <= 0.005 g/L
Temp.:
20 °C
pH:
ca. 7
Remarks on result:
other: By HPLC
Water solubility:
ca. 0.007 g/L
Temp.:
25 °C
Remarks on result:
other: using US EPA fragment-based structure-property software WATERNT v.1.01

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): slightly soluble (0.1-100 mg/L)