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Administrative data

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
07 July 2016 - 05 January 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:
2017

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 103 (Boiling point/boiling range)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.2 (Boiling Temperature)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
Deviations:
no
GLP compliance:
yes
Type of method:
differential scanning calorimetry

Test material

Constituent 1
Chemical structure
Reference substance name:
2-bromobutane
EC Number:
201-140-7
EC Name:
2-bromobutane
Cas Number:
78-76-2
Molecular formula:
C4H9Br
IUPAC Name:
2-bromobutane
Test material form:
liquid
Details on test material:
- Name of test material (as cited in the report): JNJ-47961173-AAA
- Physical state: Liquid
- Colour: Colourless
Specific details on test material used for the study:
- Batch n°: M15IB3251
- Analytical purity: 100% (based on gas chromotographic purity)
- Expiration date: 7 April 2017
- Storage condition: At room temperature

Results and discussion

Boiling point
Key result
Boiling pt.:
89 °C
Atm. press.:
1 013.25 hPa
Decomposition:
no
Remarks on result:
other: boiling temperature was determined as the average boiling temperature obtained from 3 experiments

Any other information on results incl. tables

Preliminary test

From the TGA curve it could be derived that the weight of the sample decreased significantly from the start. At 73°C the sample weight has decreased by 25%. After the experiment it was observed that the test item was evaporated from the sample container

Main test

In the first experiment, an endothermic peak between 25°C and 125°C was observed which was most likely due to boiling of the test item. The extrapolated onset temperature was 89.997°C. After the experiment, the test item was evaporated from the sample container. To further investigate the boiling peak, a closed sample container was used in Experiment 2. The obtained DSC curve showed an exothermic effect which was most likely due to the high pressure inside the sample container, causing the sample container to expand. After the experiment, a black deposit remained in the sample container. Based on the observed residue, the reason for the effect is not known.

In the third experiment to determine the duplicate boiling temperature, similar results as the first experiment were observed. The extrapolated onset of the boiling peak was 89.280°C. After the experiment it was observed that the test item was evaporated from the sample container.

In order to investigate the boiling peak a higher heating rate of 50°C/min was applied in the fourth experiment. The extrapolated onset temperature of the boiling peak was 89.892°C. The similar value obtained demonstrated that boiling of the test item was the reason for the endothermic effect. After the experiment it was observed that the test item was evaporated from the sample container.

The boiling temperature was determined as the average boiling temperature obtained from Experiment 1 (89.997°C), Experiment 3 (89.280°C) and Experiment 4 (89.892°C). Hence, the boiling temperature of JNJ-47961173-AAA (2-bromobutane) was determined at 89.7°C (362.9K) by using DSC.

Applicant's summary and conclusion

Conclusions:
The boiling temperature of JNJ-47961173-AAA (2-bromobutane) was determined to be 89.7°C (362.9K) by using DSC.