Registration Dossier
Registration Dossier
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EC number: 248-476-0 | CAS number: 27469-60-9
Melting point / freezing point
Administrative data
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 03 February 2017 - 23 May 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.1 (Melting / Freezing Temperature)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7200 (Melting Point / Melting Range)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- differential scanning calorimetry
Test material
- Reference substance name:
- 1-[bis(4-fluorophenyl)methyl]piperazine
- EC Number:
- 248-476-0
- EC Name:
- 1-[bis(4-fluorophenyl)methyl]piperazine
- Cas Number:
- 27469-60-9
- Molecular formula:
- C17H18F2N2
- IUPAC Name:
- 1-[bis(4-fluorophenyl)methyl]piperazine
- Test material form:
- solid: particulate/powder
- Details on test material:
- White to light yellow powder
Constituent 1
- Specific details on test material used for the study:
- - Batch n°: A16FC1793
- Analytical purity: 100.2%
- Expiration date: 08 June 2018 (retest date)
- Storage condition: at room temperature
Results and discussion
Melting / freezing point
- Key result
- Melting / freezing pt.:
- 94 °C
- Atm. press.:
- 1 013.25 hPa
- Decomposition:
- yes
- Remarks:
- A brown molten residue remained after the preliminary test and a light yellow molten residue remained after the main test, indicating reaction and/or decomposition.
- Decomp. temp.:
- > 250 °C
Any other information on results incl. tables
Preliminary test
From the TGA curve it could be derived that the weight of the sample decreased significantly at 275°C. At 328°C the sample weight has decreased by 25%. After the experiment, a brown molten residue remained in the sample container (original colour: white to light yellow). The change of the colour indicated reaction and/or decomposition of the test item.
Main tests
In order to determine the melting more precisely, the DSC curve with a heating rate of 20°C/min was obtained and showed an endothermic peak between 75°C and 125°C. The extrapolated onset temperature of the peak was 94.129°C. The effect was most likely obtained due to melting. A second endothermic peak was observed starting at 250°C due to reaction and/or decomposition of the test item. After the experiment, a light yellow molten residue remained. To investigate the melting peak between 75°C and 125°C, a repeated heating cycle was applied. The extrapolated onset temperature of the melting peak was 93.779°C. The melting temperature of T000841 was determined as the average melting temperature obtained from Experiment 1 and Experiment 2 and equals 94.0°C (367.1K).
Applicant's summary and conclusion
- Conclusions:
- The melting temperature of JNJ-118781-AAA (T000841) was determined at 94.0°C by using DSC.
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