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Physical & Chemical properties

Water solubility

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Reference
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 from handbook or collection of data
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
The water solubility of C.I Direct Blue 218 (CAS no. 28407-37-6) is determined.
GLP compliance:
not specified
Type of method:
other: no data
Specific details on test material used for the study:
Name of the test chemical: Tetrasodium [μ-[[3,3'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicuprate(4-)
Common Name: C.I Direct Blue 218
IUPAC name: tetrasodium (3E)-5-amino-3-{2-[4-(4-{2-[(2E)-8-amino-1-oxo-3,6-disulfonato-1,2-dihydronaphthalen-2-ylidene]hydrazin-1-yl}-3- hydroxyphenyl)-2-hydroxyphenyl]hydrazin-1-ylidene}-4-oxo-3,4-dihydronaphthalene-2,7-disulfonate dicopper
Molecular Formula: C32H20Cu2N6Na4O16S4
Molecular Weight: 1087.84 g/mol
SMILES Notation: c12c3c(c(S(=O)(=O)[O-])cc1cc(S(=O)(=O)[O])cc2N)N=Nc1ccc(cc1O[Cu]O3)c1cc2c(N=Nc3c(cc4c(c3O[Cu]O2)c(cc(c4)S(=O) (=O)[O-])N)S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+].[Na+]
InChI: 1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39) 14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;2*+2;4*+1/p-8/b37-35-,38-36-;;;;;;
Substance Type: Organic
Physical State: Solid Deep purple to dark blue amorphous powder
Key result
Water solubility:
>= 10 000 - <= 50 000 mg/L
Conc. based on:
test mat.
Temp.:
17 °C
Remarks on result:
other: no other details mentioned
Conclusions:
The water solubility of C.I Direct Blue 218 (CAS no. 28407-37-6) is determined to be in the range of 10000 - 50000 mg/L at 17 °C.
Executive summary:

Based on available data from authoritative databases, the water solubility of C.I Direct Blue 218 (CAS no. 28407-37-6) is determined to be in the range of 10000 - 50000 mg/L at 17 °C.

According to the obtained value the C.I Direct Blue 218 (CAS no. 28407-37-6) is considered to be very soluble in water.

Description of key information

The water solubility of C.I Direct Blue 218 (CAS no. 28407-37-6) is determined to be in the range of 10000 - 50000 mg/L at 17 °C.

Key value for chemical safety assessment

Water solubility:
10 000 mg/L
at the temperature of:
17 °C

Additional information

Based on available data from authoritative databases, the water solubility of C.I Direct Blue 218 (CAS no. 28407-37-6) is determined to be in the range of 10000 - 50000 mg/L at 17 °C.

According to the obtained value the C.I Direct Blue 218 (CAS no. 28407-37-6) is considered to be very soluble in water.