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Physical & Chemical properties

Melting point / freezing point

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Reference
Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
19 December 2016 - 07 July 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7200 (Melting Point / Melting Range)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
differential scanning calorimetry
Specific details on test material used for the study:
- Batch n°: M16FB2273
- Analytical purity: 101.7% (w/w)
- Expiration date: 12 September 2017
- Storage condition: at room temperature
Key result
Melting / freezing pt.:
147.5 °C
Atm. press.:
1 013.25 hPa
Decomposition:
yes
Decomp. temp.:
> 225 °C
Remarks on result:
other: A brown molten residue remained after the preliminary and first main test, indicating reaction and/or decomposition. A white molten residue remained after the second main test indicating melting.

Preliminary test

From the TGA curve it could be derived that the weight of the sample decreased significantly at 225°C. At 263°C the sample weight has decreased by 25%. After the experiment, a brown molten residue remained in the sample container (original colour: white). 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 125°C and 175°C. The extrapolated onset temperature of the peak was 147.749°C. The effect was most likely obtained due to melting. A second endothermic peak was observed starting at 225°C due to reaction and/or decomposition of the test item. After the experiment, a  brown molten residue remained. To investigate the melting peak between 125°C and 175°C, a repeated heating cycle was applied and directly stopped at 165°C. The extrapolated onset temperature of the melting peak was 147.311°C. The melting temperature of T003421 was determined as the average melting temperature obtained from Experiment 1 and Experiment 2 and equals 147.5°C (420.7K).

Conclusions:
The melting temperature of JNJ-42808389-AAA (T003421) was determined at 147.5°C (420.7K) by using DSC.

Description of key information

A GLP study was performed according to OECD guideline 102, EU Method A.1 and EPA OPPTS 830.7200 without deviations (K1, Ciric J, 2017). The melting point of T003421 was determined to be 147.5°C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
147.5 °C

Additional information