4-[(2E)-3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-2-enoyl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

27 July 1995

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

4-[3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-2-enoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide

Molecular formula:

C23H18Cl2F4N2O4

IUPAC Name:

4-[3-(3,5-dichloro-4-fluorophenyl)-4,4,4-trifluorobut-2-enoyl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide

Test material form:

solid

Details on test material:

Off-white

Results and discussion

Boiling point

Key result

Atm. press.:

99.2 kPa

Decomposition:

yes

Decomp. temp.:

ca. 185 °C

Remarks on result:

not determinable

Remarks:

The boiling temperature could not be determined due to decomposition.

Any other information on results incl. tables

From comparison of the thermogram profiles obtained from samples analysed using pre-perforated crucible lids (which allow self-pressurisation up to the boiling temperature) and those using manually pierced crucible lids (i.e. an open system), it is possible to evaluate if an observed endotherm originates from a true boiling temperature for the test item.

However in this case, no significant endotherms (beyond the melting of the test item at approximately 170 °C) were observed before the sample underwent decomposition without any evidence of boiling, irrespective of the crucible lid type employed.

Due to the low initial rate of enthalpy change during decomposition, the onset temperature could only be approximated. Due to the variance observed, a limit value has been reported based on the lowest observed onset temperature.

The use of manually pierced crucibles (an open system) also provided an opportunity to assess the stability of the test item in air and in an inert atmosphere (nitrogen). Decomposition was observed both in air and under a nitrogen atmosphere, indicating the process was most likely thermal and not oxidative.

Applicant's summary and conclusion

Conclusions:

The substances started to decompose at about 185 °C at a pressure of 99.2 kPa. The boiling temperature could therefore not be determined.

Executive summary:

The boiling temperature of the substance was investigated under GLP to OECD TG 103 by using differential scanning calorimetry. The temperature accuracy of the instrument was tested with indium and zinc before the start of the test and found to be acceptable. Aliquots of test substance of about 0.005 g were placed in aluminium crucibles with pre-forated or manually pierced lids and these were placed in the instrument, which was then heated from 20 °C to up to 450 °C at a rate of 20 °C/minute. The first four determinations were done under static air atmosphere (two with pre-perforated and two with manually pierced lids), while the last two determinations were done under nitrogen atmosphere (using manually pierced lids). No significant endotherms (beyond the melting of the test subtance at about 170 °C) were observed in the thermograms, before the substance underwent decomposition without any evidence of boiling, irrespective of the crucible lid type employed. Due to the low initial rate of enthalpy change during decomposition, the onset temperature could only be approximated. Due to the variance observed, a limit value has been reported based on the lowest observed onset temperature. Decomposition was observed both in air and under a nitrogen atmosphere, indicating the process was most likely thermal and not oxidative. The test substance was determined to decompose from approximately 185 °C onwards at a pressure of 99.2 kPa, without any evidence of boiling.