N,N,N-tributylbutan-1-aminium ({[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl]oxy}sulfonyl)oxidanide

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

From 21 January 2016 to 25 January 2016.

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2016

Report date:

2016

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Version / remarks:

(EC 440/2008)

Deviations:

no

GLP compliance:

yes (incl. QA statement)

Type of method:

method according to Siwoloboff

Test material

Test material information

Constituent 1

Reference substance name:

N,N,N-tributylbutan-1-aminium ({[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl]oxy}sulfonyl)oxidanide

EC Number:

812-038-2

Cas Number:

1192651-80-1

Molecular formula:

C23 H46 N4 O6 S

IUPAC Name:

N,N,N-tributylbutan-1-aminium ({[(2S,5R)-2-carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]oct-6-yl]oxy}sulfonyl)oxidanide

Test material form:

solid

Details on test material:

- Name of test material (as cited in study report): SAM-3
- Lot/batch No.: SAM-3/660-137/K1
- Material number: P60689-51
- Storage conditions: ambient temperature, dry, well ventilated area protected from sunlight.

Results and discussion

Boiling point

Key result

Atm. press.:

101.7 kPa

Decomposition:

yes

Decomp. temp.:

>= 202 - <= 204 °C

Remarks on result:

other: no boiling point

Any other information on results incl. tables

The sample was an off-white/white solid that melted at 148 - 150°C to an opaque solution. The solution became a clear pale yellow solution at 155°C. At a temperature of 165 - 170°C the solution started to darken to yellow and small bubbles appeared throughout the solution. At 202 - 204°C the solution had further discoloured to dark brown and continuous streams of bubbles were observed. Because the solution was so dark, it was not possible to see the capillary tube in the solution. The sample was cooled to 185°C and the capillary tube removed. No ingress of the solution into the capillary tube was observed. It is therefore suspected that the steady stream of bubbles observed at 202 - 204°C was due to thermal decomposition and not due to boiling. The test material undergoes decomposition before reaching its boiling point.

Applicant's summary and conclusion

Conclusions:

Using the EC A.2 method according to Siwoloboff, decomposition of the substance at 202-204°C was observed. The substance has no boiling point. GLP-compliant study.