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Diss Factsheets
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EC number: - | CAS number: -
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Dissociation constant
Administrative data
- Endpoint:
- dissociation constant
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- Phys chem testing was conducted between 10 March 2011 and 12 April 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 011
- Report date:
- 2011
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Testing was not possible according to Method 112 of the OECD Guidelines for Testing of chemicals, 12 May 1981 due to the presence of overlapping dissociation constants. In addition, the copper complex exhibits stability constants rather than dissociation constants. Therefore, the estimation was performed using Advanced Chemistry Development I-Lab Web Service (ACD I-Lab 2.0). For the purposes of the estimation, the copper atom was replaced with sulphur atom and the sodium atoms substituted with hydrogen atoms. The functional groups associated with the copper complex were calculated using both benzene and pyridine end-groups giving a range of dissociation constants.
- GLP compliance:
- no
Test material
- Details on test material:
- - Name of test material (as cited in study report): TM10-099
- Physical state: dark blue powder
- Lot/batch No.: MB-1
- Expiration date of the lot/batch: 04 March 2012
- Storage condition of test material: room temperature, in the dark
Constituent 1
Results and discussion
- Dissociating properties:
- yes
Dissociation constantopen allclose all
- No.:
- #1
- pKa:
- -9.73 - 0.16
- Remarks on result:
- other: Copper complex, Pyrrole/nitrogen group
- No.:
- #2
- pKa:
- 3.61 - 3.65
- Remarks on result:
- other: C12H15N6O9S3, Triazine
- No.:
- #3
- pKa:
- 9.61 - 10.8
- Remarks on result:
- other: C12H15N6O9S3, Sulphonamide
- No.:
- #4
- pKa:
- < 0
- Remarks on result:
- other: C12H15N6O9S3, Sulphonic acids
- No.:
- #5
- pKa:
- 9.43 - 10.1
- Remarks on result:
- other: Sulphonamide, Amide
- No.:
- #6
- pKa:
- < 0
- Remarks on result:
- other: Sulphonic acid
Any other information on results incl. tables
Dissociation constants
Test Item Constituent |
Functional Group |
Dissociation Constant |
Copper complex |
Pyrrole/nitrogen group |
-9.73 to 0.16 |
C12H15N6O9S3 |
Triazine |
3.61 to 3.65 |
Sulphonamide |
9.61 to 10.8 |
|
Sulphonic acids |
<0 |
|
Sulphonamide |
Amide |
9.43 to 10.1 |
Sulphonic acid |
Sulphonic acid |
<0 |
Applicant's summary and conclusion
- Conclusions:
- It was determined that the substance would always be ionised at environmentally relevant pH's.
- Executive summary:
It was not possible to determine the dissociation constants experimentally due to the presence of overlapping dissociation constants. In
addition, the copper complex exhibits stability constants rather than dissociation constants. Estimates of dissociation constants were obtained using computer based estimation software, Advanced Chemistry Development I-Lab Web Service (ACD I-Lab 2.0). The following dissociation constants were obtained:
Test Item Constituent
Functional Group
Dissociation Constant
Copper complex
Pyrrole/nitrogen group
-9.73 to 0.16
C12H15N6O9S3
Triazine
3.61 to 3.65
Sulphonamide
9.61 to 10.8
Sulphonic acids
<0
Sulphonamide
Amide
9.43 to 10.1
Sulphonic acid
Sulphonic acid
<0
From these results, it can be determined that the substance would always be ionised at environmentally relevant pH's.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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