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Partition coefficient

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Reference
Endpoint:
partition coefficient
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:
other: refer principle below
Principles of method if other than guideline:
To determine octanol water partition coefficient of 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-)
GLP compliance:
not specified
Type of method:
other: not mentioned
Partition coefficient type:
octanol-water
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
Type:
log Pow
Partition coefficient:
-0.77
Temp.:
25 °C
Remarks on result:
other: other details not available
Conclusions:
Octanol water partition coefficient (Log Pow) of test chemical Copper,[tetrahydrogen-3,3'-[(3,3'-dihydroxy-4,4'-biphenylylene)bis(azo)]bis[5-amino-4-hydroxy-2,7-naphthalenedisulfonato](4-)]di-,tetrasodium salt (7CI) (CAS no. 28407-37-6) was determined to be -0.77 dimenionless. By considering log Pow value it is concluded that this test chemical is hydrophilc in nature and it is also supported by high water solubility of this test chemical.
Executive summary:

Octanol water partition coefficient (Log Pow) of test chemical Copper,[tetrahydrogen-3,3'-[(3,3'-dihydroxy-4,4'-biphenylylene)bis(azo)]bis[5-amino-4-hydroxy-2,7-naphthalenedisulfonato](4-)]di-,tetrasodium salt (7CI)  (CAS no. 28407-37-6) was determined to be -0.77 dimenionless. By considering log Pow value it is concluded that this test chemical is hydrophilc in nature and it is also supported by high water solubility of this test chemical.

Description of key information

Octanol water partition coefficient (Log Pow) of test chemical Copper,[tetrahydrogen-3,3'-[(3,3'-dihydroxy-4,4'-biphenylylene)bis(azo)]bis[5-amino-4-hydroxy-2,7-naphthalenedisulfonato](4-)]di-,tetrasodium salt (7CI)  (CAS no. 28407-37-6) was determined to be -0.77 dimenionless. By considering log Pow value it is concluded that this test chemical is hydrophilc in nature and it is also supported by high water solubility of this test chemical.

Key value for chemical safety assessment

Log Kow (Log Pow):
-0.77
at the temperature of:
25 °C

Additional information

Octanol water partition coefficient (Log Pow) of test chemical Copper,[tetrahydrogen-3,3'-[(3,3'-dihydroxy-4,4'-biphenylylene)bis(azo)]bis[5-amino-4-hydroxy-2,7-naphthalenedisulfonato](4-)]di-,tetrasodium salt (7CI)  (CAS no. 28407-37-6) was determined to be -0.77 dimenionless. By considering log Pow value it is concluded that this test chemical is hydrophilc in nature and it is also supported by high water solubility of this test chemical.