4-Bromo-2-fluoro-N-methylbenzamide

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

15 SEP 2022 TO 14 OCT 2022

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2022

Report date:

2022

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Version / remarks:

November 2019

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Version / remarks:

July 2006

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

effusion method: isothermal thermogravimetry

Test material

Test material information

Constituent 1

Reference substance name:

4-Bromo-2-fluoro-N-methylbenzamide

EC Number:

808-257-8

Cas Number:

749927-69-3

Molecular formula:

C8H7BrFNO

IUPAC Name:

4-Bromo-2-fluoro-N-methylbenzamide

Test material form:

solid: particulate/powder

Specific details on test material used for the study:

SOURCE OF TEST MATERIAL
- lot/batch number of test material: 21NN31395
- Expiry date: 18 December 2022 (retest date)
- Physical Description: Almost white powder
- Purity: 100.5%
- Purity test date: 25 JAN 2022
- Purity correction factor: 1.00
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature
- Stability under storage conditions: no data
- Stability under test conditions: no data
- Solubility and stability of the test item in the solvent/vehicle: no data
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Final preparation of a solid: none

Results and discussion

Vapour pressure

Vapour pressure 1

Key result

Temp.:

20 °C

Vapour pressure:

0.006 Pa

Vapour pressure 2

Key result

Temp.:

25 °C

Vapour pressure:

0.012 Pa

Any other information on results incl. tables

Reference substances

Validation of the method is performed at least once every year (Test Facility Reference No. 20391642).

Each reference substance was measured in duplicate by TGA using a temperature program that was specific for the substance. Plots of log v_T obtained at elevated temperatures and 1/T were inter- or extrapolated to determine the log v_T values at 20°C (log v_T,20). The log v_T values were plotted against the logarithm of the vapour pressure at 20°C in Pascal units (log P_{T, 20}). Linear regression analysis using the least squares method yielded an equation of log P_T,20 = 1.11 x log v_T,20 + 4.67. The coefficient of correlation (r) was > 0.99. The constants c and d specific for the experimental arrangement were 1.11 and 4.67, respectively.

Results

The results of the isothermal TGA analysis for the test material are given in the table below

Results of the Vapour pressure Isothermal TGA Analysis

Temperature [°C]	Experiment	Weight loss [µg/min]	νT [g/cm^2/h]	log νT	log PT	PT [Pa]
80	1	3.48796	4.16 x 10^-4	-3.38	0.91	8.1
	2	4.14757	4.95 x 10^-4	-3.31	0.99	9.8
90	1	8.42013	1.01 x 10^-3	-3.00	1.33	22
	2	7.75242	9.25 x 10^-4	-3.03	1.29	20
100	1	21.6365	2.58 x 10^-3	-2.59	1.79	62
	2	18.7055	2.23 x 10^-3	-2.65	1.72	52
110	1	44.0951	5.26 x 10^-3	-2.28	2.13	140
	2	42.8450	5.11 x 10^-3	-2.29	2.12	130

The vapour pressure regression curve of the log P_T of the test material as function of the reciprocal temperatures was log P_T = -5375 x 1/T + 16.15 (r = 0.996, n = 8). The results of the vapour pressure at 20°C and 25°C are given in the table below:

Vapour Pressure of the Test Material

Temperature [°C]	log PT	PT [Pa]
20	-2.19	6.5 x 10^-3
25	-1.88	1.3 x 10^-2

 

Applicant's summary and conclusion

Conclusions:

The isothermal TGA effusion method was applied for the determination of the vapour pressure of JNJ-61789975-AAA (T003669).
The vapour pressure of the test material at 20°C and 25°C was: 6.5E-03 Pa and 1.3E-02 Pa