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EC number: 604-759-4 | CAS number: 150928-21-5
- 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
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 3 - 5 Jun 2002
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- The rate of hydrolysis of ZK 91445 was to be determined at pH 4, 7 and 9.
- GLP compliance:
- no
Test material
- Reference substance name:
- rac-3-(2,3-Diacetoxypropylcarbamoyl)-2,4,6-triiodo-5-methoxyacetylaminobenzoyl chloride
- EC Number:
- 604-759-4
- Cas Number:
- 150928-21-5
- Molecular formula:
- C18 H18 Cl I3 N2 O8
- IUPAC Name:
- rac-3-(2,3-Diacetoxypropylcarbamoyl)-2,4,6-triiodo-5-methoxyacetylaminobenzoyl chloride
Constituent 1
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- - Sampling: 0, 3, 16, 28 h
- Buffers:
- - pH: 4,7,9
- Type and final molarity of buffer: 0.05 M acetate buffer solution pH 4
0.05 M phosphate buffer solution pH 7
0.05 M borate buffer solution pH 9
- Number of replicates:
- Two replicates
Results and discussion
- Transformation products:
- yes
Identity of transformation products
- No.:
- #1
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- rac-5-Amino-N-(2,3-diacetoxypropyl)-2,4,6-triiodoisophthalamic acid
- Inventory number:
- InventoryMultipleMappingImpl [inventoryEntryValue=EC 602-891-7]
- CAS number:
- 122731-59-3
- Molecular formula:
- C15 H15 I3 N2 O7
- Molecular weight:
- 715.99
- SMILES notation:
- CC(=O)OCC(CNC(=O)C1=C(C(=C(C(=C1I)N)I)C(=O)O)I)OC(=O)C
- InChl:
- InChI=1S/C15H15I3N2O7/c1-5(21)26-4-7(27-6(2)22)3-20-14(23)8-10(16)9(15(24)25)12(18)13(19)11(8)17/h7H,3-4,19H2,1-2H3,(H,20,23)(H,24,25)
- Details on hydrolysis and appearance of transformation product(s):
- -ZK 91445 is hydrolyzed immediately after prepraration of the test solutions at pH 4, 7 and 9.Degradation of the acid chloride leads to the free acid ZK 96368 as primary hydrolysis product. After degradation to ZK 96368 subsequent, albeit much slower, cleavage of the two ester functions will occur at pH values ≥ 7 leading to ZK 37493 as final hydrolysis product. A hydrolysis study with ZK 91248 which is structurally similar to ZK 96368 gave the following half-lives at 25 °C: pH 4: stable, pH 7: 144 days, pH 9: 52 h.
Dissipation DT50 of parent compoundopen allclose all
- Key result
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- > 13.9 h-1
- DT50:
- < 3 min
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- > 13.9 h-1
- DT50:
- < 3 min
- Type:
- (pseudo-)first order (= half-life)
- Key result
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- > 13.9 h-1
- DT50:
- < 3 min
- Type:
- (pseudo-)first order (= half-life)
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- DT50 < 3 min for pH 4, 7 and 9.
- Executive summary:
ZK 91445 is hydrolyzed immediately after preparation of the test solutions at pH 4, 7 and 9. Degradation of the acid chloride leads to the free acid ZK 96368 as primary hydrolysis product. After degradation to ZK 96368 subsequent, albeit much slower, cleavage of the two ester functions will occur at pH values ≥ 7 leading to ZK 37493 as final hydrolysis product. A hydrolysis study with ZK 91248 which is structurally similar to ZK 96368 gave the following half-lives at 25 °C: pH 4: stable, pH 7: 144 days, pH 9: 52 h.
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