Registration Dossier

Classification & Labelling & PBT assessment

PBT assessment

Administrative data

Assessed Substance

Assessed substance:
substance itself
Reference
Reference substance name:
Unnamed
Inventory number:
InventoryMultipleMappingImpl [inventoryEntryValue=EC 277-155-8]
IUPAC name:
disodium 8-[(E)-2-{4-[(4-methylbenzenesulfonyl)oxy]phenyl}diazen-1-yl]-5-[(E)-2-{4-[(4-nitro-2-sulfophenyl)amino]phenyl}diazen-1-yl]naphthalene-1-sulfonate
Identifier:
CAS number
Identity:
72968-81-1
Identifier:
IUPAC name
Identity:
disodium 8-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo]-5-[[4-[(4-nitro-2-sulphonatophenyl)amino]phenyl]azo]naphthalene-1-sulphonate
Identifier:
other: Molecular formula
Identity:
C35H26N6O11S3.2Na
Identity:
5-[(1E)-2-{4-[(4-methylbenzenesulfonyl)oxy]phenyl}diazen-1-yl]-8-[(1E)-2-{4-[(4-nitro-2-sulfophenyl)amino]phenyl}diazen-1-yl]naphthalene-2-sulfonate
CAS number:
72968-81-1
Molecular formula:
C35H26N6O11S3.2Na
Molecular weight:
846.773
SMILES notation:
[Na+].[Na+].O=S([O-])(=O)c1cc(ccc1Nc1ccc(/N=N/c2ccc(/N=N/c3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)c3cc(ccc32)S([O-])(=O)=O)cc1)N(=O)=O
InChl:
InChI=1S/C35H26N6O11S3.2Na/c1-22-2-13-28(14-3-22)55(50,51)52-27-11-8-25(9-12-27)38-40-33-19-18-32(30-16-15-29(21-31(30)33)53(44,45)46)39-37-24-6-4-23(5-7-24)36-34-17-10-26(41(42)43)20-35(34)54(47,48)49;;/h2-21,36H,1H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2/b39-37+,40-38+;;
PBT status of the assessed substance:
the substance is not PBT / vPvB

Results of detailed PBT / vPvB assessment

Persistence

Evidence of non-P / non-vP properties
Screening criteria
Remark:
The substance is also considered not-readily biodegradable.
Criteria based on Annex XIII of REACH
Other evidence of non-P / non-vP properties
Remark:
Potential P or vP
Conclusion
Conclusion on P / vP properties:
No conclusion can be reached based on available information

Bioaccumulation

Evidence of non-B / non-vB properties
Screening criteria
Not B and not vB based on: Log Kow ≤ 4.5
Remark:
The experimental Log Pow, based on the OECD117 method, is < 0.3- 2.83 (91% of the peaks revealed < 0.3).
Furthermore, the substance has a solubility of 22.74 ± 0.80 g/L at 20.0 ± 0.5 °C                                                                                                                             
Criteria based on Annex XIII of REACH
Not B and not vB based on: BCF ≤ 2,000 L/kg
Remark:
BCF for ionic compounds are predicted as 3.162 L/Kg (log Kow < 5.0), and it can be assumed that the substance has not a potential adsorption property on sediment and soil compartments.
Conclusion
Conclusion on B / vB properties:
not B/vB

Toxicity

Evidence of non-T properties
Criteria based on Annex XIII of REACH
Evidence of T properties
Conclusion
Conclusion on T properties:
No conclusion can be reached based on available information