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EC number: 701-059-1 | CAS number: 345217-03-0
- 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
Melting point / freezing point
Administrative data
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 13 March 2012- 11 July 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study has been performed according to OECD and EC guidelines and according to the principles of GLP.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.1 (Melting / Freezing Temperature)
- Version / remarks:
- (2008)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- Version / remarks:
- (1995)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7200 (Melting Point / Melting Range)
- Version / remarks:
- (1998)
- Deviations:
- no
- GLP compliance:
- yes
- Type of method:
- thermal analysis
- Remarks:
- (differential scanning calorimetry)
Test material
- Reference substance name:
- 2,5-anhydro-4-{[4-(4-{4-[({1-[(2S,3S)- 2-(benzyloxy)pentan-3-yl]hydrazino}carbonyl)amino]phenyl}piperazin1-yl)phenoxy]methyl}-1,3,4-trideoxy-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-
- EC Number:
- 701-059-1
- Cas Number:
- 345217-03-0
- Molecular formula:
- C43H50F2N8O4
- IUPAC Name:
- 2,5-anhydro-4-{[4-(4-{4-[({1-[(2S,3S)- 2-(benzyloxy)pentan-3-yl]hydrazino}carbonyl)amino]phenyl}piperazin1-yl)phenoxy]methyl}-1,3,4-trideoxy-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- - Name of test material (as cited in study report): PAZ-D
- Physical state: white powder
- Hygroscopic
Constituent 1
Results and discussion
Melting / freezing pointopen allclose all
- Melting / freezing pt.:
- 144 °C
- Decomposition:
- yes
- Decomp. temp.:
- >= 225 °C
- Melting / freezing pt.:
- 417 K
- Decomposition:
- yes
- Decomp. temp.:
- >= 498 K
Any other information on results incl. tables
Preliminary TGA
From 275°C upwards the weight of the sample decreased significantly. At 378°C, the sample weight had decreased by 25%. After the experiment, a black molten residue remained in the sample container.
DSC experiments
Experiment 1: An endothermic peak between 125°C and 175°C (extrapolated onset temperature: 143.39°C), most likely due to melting. Between 225°C and 350°C, an endothermic peak followed by a first exothermic peak was observed. The effects were due to reaction and/or decomposition of the substance. A second exothermic peak was observed starting at 350°C, due to further reaction and/or decomposition of the substance. After the experiment, a red molten residue remained in the sample container.
Experiment 2: To investigate the melting peak between 125°C and 175°C, a repeated heating cycle was applied. With the first heating the extrapolated onset temperature of the melting peak was 143.49°C. During cooling, a glass transition was observed between 60°C and 30°C but no crystallisation. With the second heating, a glass transition was observed between 50°C and 75°C (inflection point: 56.62°C). A melting peak was not observed as expected (no crystallisation during cooling). An endothermic peak followed by an exothermic peak was observed starting at 225°C, due to reaction and/or decomposition of the substance. After the experiment, a yellow molten residue remained in the sample container.
Experiment 3: To investigate reaction and/or decomposition during melting, the experiment was stopped directly after the melting peak (extrapolated onset temperature: 143.78°C). After the experiment, a white/very slightly yellow, molten residue remained in the sample container. Although a minor discolouration was observed, the effect is most likely due to melting of the test substance.
TGA/DSC curves: see attachment.
Applicant's summary and conclusion
- Conclusions:
- In a differential scanning calorimetry study, the melting temperature of the substance was determined to be 144°C. Decomposition of the substance started at 225°C. The study was performed in accordance with EC A.1, OECD 102 and EPA OPPTS 830.7200 guidelines and according to the principles of GLP.
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