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EC number: 940-889-0 | CAS number: 1770781-13-9
Water solubility
Administrative data
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: Test performed according to GLP
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 015
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.6 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7840 (Water Solubility)
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- flask method
Test material
- Reference substance name:
- 4-(2-{(E)-2-[(1E)-1-{(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene]ethylidene}-2-{methyl[(trifluoromethyl)sulfonyl]amino}-1H-inden-3-yl]vinyl}-1,1-dimethyl-1H-benzo[e]indolium-3-yl)butane-1-sulfonate compound with N,N-diethylethanamine (1:1)
- EC Number:
- 940-889-0
- Cas Number:
- 1770781-13-9
- Molecular formula:
- C51 H52 F3 N3 O8 S3 . C6 H15 N
- IUPAC Name:
- 4-(2-{(E)-2-[(1E)-1-{(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)-1,3-dihydro-2H-benzo[e]indol-2-ylidene]ethylidene}-2-{methyl[(trifluoromethyl)sulfonyl]amino}-1H-inden-3-yl]vinyl}-1,1-dimethyl-1H-benzo[e]indolium-3-yl)butane-1-sulfonate compound with N,N-diethylethanamine (1:1)
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- Identification CH03938
Appearance Green-brown powder (determined by WIL Research Europe)
Batch AD
Purity/Composition 97.85% (HPLC)
KF content 0.87% water
Test substance storage At room temperature in well-sealed container
Stable under storage conditions until Unknown
Purity/composition correction factor No correction factor required
Test substance handling No specific handling conditions required
Irritant or corrosive Yes
Constituent 1
Results and discussion
Water solubility
- Water solubility:
- 21.5 g/L
- Temp.:
- 20 °C
- pH:
- 6.8 - 6.9
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information): very soluble (> 10000 mg/L)
The flask method was applied for the determination of the water solubility of CH03938. The water solubility of the test item at 20°C was 21.5 g/l. The pH of the aqueous samples was 6.8 – 6.9.
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