(±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide

Boiling point

Administrative data

Endpoint:

boiling point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

August to November 2018

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

The determination was carried out by differential scanning calorimetry, using a procedure designed to be compatible with Method A.2 Boiling Temperature of Commission Regulation (EC) No 440/2008 of 30 May 2008 and Method 103 of the OECD Guidelines for Testing of Chemicals, 27 July 1995

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2018

Report date:

2018

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method A.2 (Boiling Temperature)

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 103 (Boiling Point)

GLP compliance:

yes (incl. QA statement)

Type of method:

differential scanning calorimetry

Test material

Test material information

Constituent 1

Reference substance name:

(±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide

EC Number:

276-851-9

EC Name:

(±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide

Cas Number:

72797-41-2

Molecular formula:

C21H25ClN2O4S

IUPAC Name:

(±)-7-[(3-chloro-6,11-dihydro-6-methyldibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid S,S-dioxide

Test material form:

solid: crystalline

Details on test material:

White powder

Specific details on test material used for the study:

Batch 18114773 - Purity > 99.5%
Aliquots of test item (see following table) were placed in pierced crucibles and were subjected to a thermal program from 20 to 450 °C at 20 °C/min.

Results and discussion

Boiling point

Key result

Atm. press.:

>= 100.9 - <= 101.4 kPa

Decomposition:

yes

Remarks:

As the test item decomposed, no value for boiling point could be determined.

Decomp. temp.:

>= 237 °C

Applicant's summary and conclusion

Conclusions:

The endotherms observed in each determination at approximately 140 to 160 °C was attributed to the melting of the test item, as quantified in Section 4.1 of the report.
As a result of the initial low rate of enthalpy change during decomposition, the onset temperature could only be approximated. To present a worst case scenario with respect to thermal stability, the lowest observed onset temperature has been reported as the overall result.
Similar thermographic profiles were obtained using air and nitrogen atmospheres. This indicated that the decomposition was probably thermal and not oxidative.

The test item decomposed from approximately 237 °C (511 K) at 100.9 to 101.4 kPa. As the test item decomposed, no value for boiling point could be determined.

Executive summary:

The test item decomposed from approximately 237 °C (511 K) at 100.9 to 101.4 kPa. As the test item decomposed, no value for boiling point could be determined.