Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester

Boiling point

Link to relevant study record(s)

Reference

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

7 January 2004 to 14 January 2004

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Deviations:

no

GLP compliance:

yes

Type of method:

differential scanning calorimetry

Key result

Atm. press.:

ca. 6.65 kPa

Decomposition:

yes

Decomp. temp.:

> 214 °C

Boiling temperature (by DSC) results

	Decomposition onset				Sample weight
Test	t, ºC	T, ºK	p, mm Hg	P, kPa	Initial, mg	Residual, mg
1	215.03	488.18	50	6.65	3.66	2.37
2	213.75	486.90	50	6.65	3.84	1.75
Mean	214.39	487.54	50	6.65	-	-
SD	-	0.64	-	0.00	-	-
2SD	-	1.28	-	0.00	-	-
Rounded 2SD	-	1.3	-	0.00	-	-
Rounded mean	214	488	50	6.65	-	-

The boiling temperature was estimated to be 604 °C (877 °K). Based on the estimated boiling point and the standard DSC it was determined that the test substance was likely to decompose prior to boiling at atmospheric pressure. A boiling point at reduced pressure (50 mm Hg) was performed. The endotherm at approximately 180 °C was believed to be melting as determined in the visual capillary metling point test. The residual sample weights indicate that the test substance decomposed.

The test substance showed decomposition above 214 °C (488 °K) ± 1.3 °C (°K) at (approximately) 6.65 kPa.

Conclusions:

Under the conditions of the study, the test substance showed decomposition above 214 ºC (488 °K) ± 1.3 °C. at approximately 6.65 kPa.

Executive summary:

In a GLP compliant boiling point study conducted in line with EU Method A.2, the boiling point of

butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino-4-oxo, tetradecyl ester was determined using the differential scanning calorimetry method. The test substance showed decomposition above 214 ºC (488 ºK) ± 1.3 ºC at approximately 6.65 kPa.

Description of key information

Key study:- Brandt (2004) 'Physico-chemical properties with respect to melting, boiling and solid flammability' conducted in line with EU Method A.2. The test substance showed decomposition above 214 ºC (488 ºK) ± 1.3 ºC at approximately 6.65 kPa.

Additional information

The key study (Brandt, 2004) was performed in compliance with GLP and to the EU Method A.2 with a sufficient level of detail to assess the quality of the presented data. The study was performed to a good standard in line with an accepted, standardised guideline and was assigned a reliability score of 1 using the principles for assessing data quality as set out in Klimisch et al. (1997). The test substance showed decomposition above 214 ºC (488 ºK) ± 1.3 ºC at approximately 6.65 kPa.