Registration Dossier
Registration Dossier
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EC number: 212-850-1 | CAS number: 873-74-5
Melting point / freezing point
Administrative data
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 25 September 2017 to 15 November 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
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:
- 4-aminobenzonitrile
- EC Number:
- 212-850-1
- EC Name:
- 4-aminobenzonitrile
- Cas Number:
- 873-74-5
- Molecular formula:
- C7H6N2
- IUPAC Name:
- 4-aminobenzonitrile
- Test material form:
- solid: flakes
Constituent 1
- Specific details on test material used for the study:
- - Batch n°: M15LB4547
- Analytical purity: 100% (based on HPLC assay)
- Expiration date: 26 December 2017
- Storage condition: at room temperature
Results and discussion
Melting / freezing point
- Key result
- Melting / freezing pt.:
- 86.2 °C
- Atm. press.:
- 1 018.1 hPa
- Decomposition:
- no
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 250°C. At 303°C the sample weight has decreased by 25%. After the experiment it was observed that the test item was evaporated from the sample container.
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 100°C. The extrapolated onset temperature of the peak was 86.174°C. The effect was most likely obtained due to melting of the test item.
To investigate the endothermic peak between 75°C and 100°C, a repeated heating cycle was applied in the Experiment 2. The extrapolated onset temperature of the endothermic peak was 86.334°C.
During cooling, an exothermic peak between 20°C and 40°C was found. The effect was obtained due to crystallization of the test item. This result supported that the endothermic effect was due to melting of the test item.
The temperature program in Experiment 3 was similar as the program of Experiment 1 and similar results as with Experiment 1 were obtained. The extrapolated onset of the melting peak was 86.201°C. After the experiment it was observed that the test item was evaporated from the sample container.
The melting temperature was determined as the average melting temperature obtained from Experiment 1 (86.174°C), Experiment 2 (86.334°C) and Experiment 3 (86.201°C).
Applicant's summary and conclusion
- Conclusions:
- The melting temperature of JNJ-25760046-AAA (T002680) was determined at 86.2°C (359.4K) by using DSC.
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