2-Pyridinecarbonitrile, 5-amino-3-(trifluoromethyl)-

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

05 Oct 2020 to 22 oct 2020

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2020

Report date:

2021

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

July 27, 1995

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

March 2016

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile

EC Number:

815-137-9

Cas Number:

573762-62-6

Molecular formula:

C7H4F3N3

IUPAC Name:

5-amino-3-(trifluoromethyl)pyridine-2-carbonitrile

Details on test material:

- Appearence : Slightly yellowish brown fine powder
- CAS Number: 573762-62-6
- Molecular formula: C7H4F3N3
- Molecular weight: 187.12

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- lot/batch number of test material: BI03K2005005
- Expiry date: 02 June 2021 (retest date)
- Physical Description: Almost white to yellow powder (determined by Charles River Den Bosch)
- Purity: 99.7%
- Purity correction factor: 1.0
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
- Stability under storage conditions: not indicated
- Stability under test conditions: not indicated
- Solubility and stability of the test item in the solvent/vehicle: not relevant
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing (e.g. warming, grinding): no treatment

Results and discussion

Melting / freezing point

Key result

Melting / freezing pt.:

153.3 °C

Atm. press.:

1 atm

Decomposition:

yes

Remarks:

Reaction and/or decomposition of the test item was observed starting at 250°C. Boiling of the test item was not observed below this temperature. Based on this, the test item has no boiling temperature.

Decomp. temp.:

>= 250 °C

Any other information on results incl. tables

Preliminary test

Starting at 275°C, the weight of the sample decreased significantly. At 340°C, the sample weight had decreased by 25%. After the experiment, a black molten residue remained in the sample container (original colour: white to yellow). The change of the colour indicated reaction and/or decomposition of the test item.

 

Main study

An endothermic effect was observed between 125°C and 175°C followed by second endothermic effect starting at 250°C. The extrapolated onset temperature of the first effect was 153.290°C. The first endothermic effect was most likely obtained due to melting of the test item. The second endothermic effect was probably obtained due to reaction and/or decomposition of the test item. After the experiment, a black molten residue remained in the sample container (original colour: white to yellow). Based on this visual observation, it was found that the test item had molten and the change of the colour demonstrated reaction and/or decomposition of the test item.
In order to investigate the first endothermic effect, Experiment 2 was stopped directly after the melting effect. The extrapolated onset temperature was 153.321°C. After the experiment, a white molten residue remained in the sample container (original colour: white to yellow). It demonstrated that melting was the reason for the first endothermic effect.
The melting temperature was determined as the mean melting temperature of Experiment 1 (153.290°C) and Experiment 2 (153.321°C).

Applicant's summary and conclusion

Conclusions:

The melting temperature of JNJ-61232574-AAA (T003630) was determined by DSC. The melting temperature of the test item was 153.3°C (426.5K).
Reaction and/or decomposition of the test item was observed during DSC experiment starting at 250°C (523K).