6-fluoro-3-(piperidin-4-yl)-1,2-benzoxazole hydrochloride

Vapour pressure

Administrative data

Endpoint:

vapour pressure

Type of information:

experimental study

Adequacy of study:

key study

Study period:

08 May 2017 - 15 September 2017

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 104 (Vapour Pressure Curve)

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.4 (Vapour Pressure)

Deviations:

no

Test guideline 3

Qualifier:

according to guideline

Guideline:

EPA OPPTS 830.7950 (Vapor Pressure)

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:

6-FLUORO-3-(PIPERIDIN-4-YL)-1,2-BENZOXAZOLE HYDROCHLORIDE

EC Number:

700-303-4

Cas Number:

84163-13-3

Molecular formula:

C12H13FN2O.HCl

IUPAC Name:

6-FLUORO-3-(PIPERIDIN-4-YL)-1,2-BENZOXAZOLE HYDROCHLORIDE

Test material form:

solid: particulate/powder

Specific details on test material used for the study:

- Batch n°: I16EC2452
- Analytical purity: 100.2% (based on assay; calculated on anhydrous basis)
- Expiration date: 22 November 2020 (retest date)
- Storage condition: at room temperature

Results and discussion

Vapour pressure

Vapour pressure 1

Key result

Temp.:

20 °C

Vapour pressure:

< 0.002 Pa

Vapour pressure 2

Key result

Temp.:

25 °C

Vapour pressure:

< 0.005 Pa

Any other information on results incl. tables

Reference substances

Validation of the method is performed at least once every year (project 517972). 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_Tvalues at 20°C (log v_T,20). The log v_T,20 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= 1.26 log v_T,20 + 4.98. The coefficient of correlation (r) was > 0.99. The constants c and d specific for the experimental arrangement were 1.26 and 4.98, respectively.

Results

A log PT versus 1/T curve for the test item in the range of 100°C and 130°C could not be determined. Values for the log vT and log PT could not be determined, since no singificant weight loss was observed. The weight of some samples increased to an extent which was considered negligible. Therefore a plot of log PT of the test item as function of the reciprocal temperatures could not be constructed from the data. Since vapour pressure could not be calculated from the obtained results, the weight losses of the test item were compared with the results of hexachlorobenzene at the same temperatures. Since the weight loss of the test item was lower than the weight loss of the reference compound, the vapour pressure of the test item is considered to be below the vapour pressure of hexachlorobenzene, which is given in the table below:

	20°C		25°C
	[Pa]	[mm Hg]	[Pa]	[mm Hg]
Test item	< 1.5 X 10 ^ (-3)	< 1.1 X 10 ^ (-5)	< 4.8 X 10 ^ (-3)	< 3.6 X 10 ^ (-5)

 

 

 

Applicant's summary and conclusion

Conclusions:

The isothermal TGA effusion method was applied for the determination of the vapour pressure of JNJ-1782820-AAA (T001492).
The vapour pressure of the test item was <1.5 x 10 ^ (-3) Pa (or <1.1 x 10 ^ (-5) mmHg) at 20°C (293K) and 4.8 x 10 ^ (-3) Pa (or < 3.6 x 10 ^(-5) mmHg) at 25°C (298K).