Registration Dossier
Registration Dossier
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EC number: 242-355-6 | CAS number: 18472-87-2
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data is from handbook.
- Qualifier:
- according to guideline
- Guideline:
- other: refer principle below
- Principles of method if other than guideline:
- Water solubility of substance was determined.
- GLP compliance:
- not specified
- Type of method:
- other: not specified
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Test item Name: 3,4,5,6-tetrachloro-2-(1,4,5,8-tetrabromo-6-hydroxy-3-oxoxanthen-9-yl)benzoic acid (CAS Number: 18472-87-2)
- Physical State: Solid
- Form and colour: Red powder
- Molecular formula: C20H4Br4Cl4O5.2Na
- Molecular weight: 829.6388 g/mol
- InChI: 1S/C20H4Br4Cl4O5.2Na/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26;; /h1-2,29-30H;;/q;2*+1/p-2
- Smiles: c1c2c(c(c(c1Br)[O-])Br)Oc3c(cc(c(c3Br)[O-])Br)C24c5c(c(c(c(c5Cl)Cl)Cl)Cl)C(=O)O4.[Na+].[Na+]
- Substance type: Organic - Remarks on result:
- other: Soluble in water
- Conclusions:
- The test chemical was found to be soluble in water.
- Executive summary:
Based on data availble , the test chemical was determined to be soluble in water.
Reference
Description of key information
The water solubility determination of test substance was done as per the shake flask method. The solubility of water was determined to be 726.45 g/L at 31 degC. Thus, it can be concluded that test substance is moderately soluble in water.
Key value for chemical safety assessment
- Water solubility:
- 726.45 g/L
- at the temperature of:
- 31 °C
Additional information
The water solubility determination of test substance was done as per the shake flask method. The solubility of water was determined to be 726.45 g/L at 31 degC. Thus, it can be concluded that test substance is moderately soluble in water.
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