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Diss Factsheets
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EC number: 270-096-9 | CAS number: 68411-04-1
- 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
Link to relevant study record(s)
Description of key information
Using benzenesulfonic acid and N-[3-(dimethylamino)propyl]benzenesulfonamide as model compounds the dissociation constants of C.I. Direct Blue 264 were estimated by ACD/pKa DB included in ACD/labs 7.00 Release. According to the estimated results, the sulfonic acid side chain is mainly present in the deprotonated/dissociated form under environmentally relevant pH 5-9. Whereas the dimethylaminopropyl sulfonamide side chain is primarily protonated at the tertiary nitrogen under environmentally relevant pH 5-9.
Key value for chemical safety assessment
- pKa at 20°C:
- 9.19
Additional information
C.I. Direct Blue 264 is an UVCB substance consisting of phthalocyanine copper complexes. All constituents have copper phthalocyanine as basic structure. They carry further different numbers (1-4) of two different types of side chains (sulfonic acid and dimethylaminopropyl sulfonamide).
As the entire molecule of C.I. Direct Blue 264 was too large for the calculation the dissociation constants for benzenesulfonic acid and N-[3-(dimethylamino)propyl]benzenesulfonamide acting as model compounds for the side chains (sulfonic acid and dimethylaminopropyl sulfonamide) were estimated. The side chains of C.I. Direct Blue 264 are assumed to display the only dissociable regions within the molecule and thus can be used to describe the dissociation behaviour of the entire molecule.
The following dissociation constants were estimated for the side chains:
Sulfonic acid side chain:
pKa (HL/H+L) = -0.60 ± 0.50
Dimethylaminopropyl sulfonamide side chain:
pKa (HL/H+L) = 11.42 ± 0.40
pKa (H2L/H+HL) = 9.19 ± 0.40
pKa (H3L/H+H2L) = -8.63 ± 0.70
Using benzenesulfonic acid and N-[3-(dimethylamino)propyl]benzenesulfonamide as model compounds the dissociation constants of C.I. Direct Blue 264 were estimated by ACD/pKa DB included in ACD/labs 7.00 Release. According to the estimated results, the sulfonic acid side chain is mainly present in the deprotonated/dissociated form under environmentally relevant pH 5-9. Whereas the dimethylaminopropyl sulfonamide side chain is primarily protonated at the tertiary nitrogen under environmentally relevant pH 5-9.
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