3-phenyl-1H-pyrazole-4-carbaldehyde

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

23 Nov 2020 to 15 Jan 2021

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2021

Report date:

2021

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

Version / remarks:

July 27, 1995

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

March 04, 2016

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7220 (Boiling Point / Boiling Range)

Version / remarks:

August 1996

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

3-phenyl-1H-pyrazole-4-carbaldehyde

EC Number:

632-673-7

Cas Number:

26033-20-5

Molecular formula:

C10H8N2O

IUPAC Name:

3-phenyl-1H-pyrazole-4-carbaldehyde

Test material form:

solid: particulate/powder

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- Batch (Lot) Number: M19LD3723
- Purity/Composition: 103.6%
- Purity/Composition correction factor: 1.0
- Purity test date : 2020-05-04
- Expiry date: 11 November 2021 (retest date)
- Physical Description: Light yellow powder

STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature

TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Final preparation of a solid: not applicable, the solid test item was transferred directly into the DSC cell

Results and discussion

Boiling point

Key result

Atm. press.:

1 013.25 hPa

Decomposition:

yes

Decomp. temp.:

351 °C

Any other information on results incl. tables

Preliminary Test

Starting at 275°C, the weight of the sample decreased significantly. At 351°C, the sample weight had decreased by 25%.

After the experiment, a brown molten residue remained in the sample container (original colour: light 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 an exothermic effect starting at 225°C. The extrapolated onset temperature of the endothermic effect was 143.984°C. The endothermic effect was most likely obtained due to melting of the test item. The exothermic effect was due to reaction and/or decomposition of the test item.

After the experiment, a red/brown molten residue remained in the sample container (original colour: light 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 endothermic effect, Experiment 2 was stopped directly after the melting effect. Figure 3 shows the DSC curve obtained. The extrapolated onset temperature was 144.139°C. After the experiment, a grey/yellow molten residue remained in the sample container (original colour: light yellow). Based on this visual observation, it demonstrated that melting and reaction and/or decomposition of the test item was the reason for the endothermic effect.

Reaction and/or decomposition of the test item was observed during DSC experiments during and after melting of the test item. Boiling of the test item was not observed below the temperature at which reaction and/or decomposition started. Based on this, the test item has no boiling temperature.

Applicant's summary and conclusion

Conclusions:

Boiling of the test item was not observed below the temperature at which reaction and/or decomposition started. Based on this, the test item has no boiling temperature.