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Water solubility

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Reference
Endpoint:
water solubility
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Justification for type of information:
Data from experimental study
Qualifier:
according to guideline
Guideline:
other: Shake Flask Method
Principles of method if other than guideline:
The water solubility determination of Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate was done as per the shake flask method
GLP compliance:
no
Type of method:
flask method
Specific details on test material used for the study:
- Name of test material : Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
- Molecular formula : C40H42K2N12O10S2
- Molecular weight : 993.174 g/mol
- Smiles notation : [K+].[K+].C(=C\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Nc1ccccc1)S(=O)(=O)[O-])\c1c(cc(cc1)Nc1nc(nc(n1)N(CCO)CCO)Nc1ccccc1)S(=O)(=O)[O-]
- InChl : 1S/C40H44N12O10S2.2K/c53-21-17-51(18-22-54)39-47-35(41-29-7-3-1-4-8-29)45-37(49-39)43-31-15-13-27(33(25-31)63(57,58)59)11-12-28-14-16-32(26-34(28)64(60,61)62)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52(19-23-55)20-24-56;;/h1-16,25-26,53-56H,17-24H2,(H,57,58,59)(H,60,61,62)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;/q;2*+1/p-2/b12-11+;;
- Substance type: Organic
- Physical state: Solid
Key result
Water solubility:
60 000 mg/L
Conc. based on:
test mat.
Temp.:
98 °C
Remarks on result:
other: no other detail available
Conclusions:
The water solubility determination of test substance Dipotassium 4,4'-bis[6-anilino-4-[bis(2-hydroxyethyl)amino-1,3,5-triazin-2-yl]amino]stilbene-2,2'- disulphonate was done as per the shake flask method. The solubility was determine to be 60000 mg/L at 98 0 Deg C. Thus the chemical is considered to be very soluble in water.
Executive summary:

The water solubility determination of test substance Dipotassium 4,4'-bis[6 -anilino-4 -[bis(2 -hydroxyethyl)amino-1,3,5 -triazin-2 -yl]amino]stilbene-2,2'- disulphonate was done as per the shake flask method. The solubility was determine to be 60000 mg/L at 98 0 Deg C. Thus the chemical is considered to be very soluble in water.

Description of key information

The water solubility determination of test substance Dipotassium 4,4'-bis[6 -anilino-4 -[bis(2 -hydroxyethyl)amino-1,3,5 -triazin-2 -yl]amino]stilbene-2,2'- disulphonate was done as per the shake flask method. The solubility was determine to be 60000 mg/L at 98 Deg C. Thus the chemical is considered to be very soluble in water.

Key value for chemical safety assessment

Water solubility:
60 000 mg/L
at the temperature of:
98 °C

Additional information

The water solubility determination of test substance Dipotassium 4,4'-bis[6-anilino-4 -[bis(2 -hydroxyethyl)amino-1,3,5 -triazin-2 -yl]amino]stilbene-2,2'- disulphonate was done as per the shake flask method. The solubility was determine to be 60000 mg/L at 98 Deg C. Thus the chemical is considered to be very soluble in water.