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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
boiling point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
25 September 2017 to 15 November 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2018
Report date:
2018

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 (incl. QA statement)
Type of method:
differential scanning calorimetry

Test material

Constituent 1
Chemical structure
Reference substance name:
4-aminobenzonitrile
EC Number:
212-850-1
EC Name:
4-aminobenzonitrile
Cas Number:
873-74-5
Molecular formula:
C7H6N2
IUPAC Name:
4-aminobenzonitrile
Test material form:
solid: flakes
Specific details on test material used for the study:
- Batch n°: M15LB4547
- Analytical purity: 100% (based on HPLC assay)
- Expiration date: 26 December 2017
- Storage condition: at room temperature

Results and discussion

Boiling point
Key result
Boiling pt.:
325.1 °C
Atm. press.:
1 018.1 hPa
Decomposition:
no

Any other information on results incl. tables

In Experiment 1 the DSC-curve shows an endothermic peak between 225°C and 350°C. The extrapolated onset temperature of the peak was 325.499°C. The effect was most likely obtained due to boiling of the test item. After the experiment it was observed that the test item was evaporated from the sample container.

To investigate the endothermic peak between 225°C and 350°C, a higher heating rate of 50°C/minute was applied during the second heating. The extrapolated onset temperature of the second peak was 317.763°C. The endothermic peak had not shifted to higher temperatures. It demonstrated that boiling of the test item caused the endothermic effect. The lower value was caused by the lower amount of test item used in this experiment causing the test item to evaporate before the boiling temperature was reached. This extrapolated onset was not used for calculating the boiling temperature, since it was obtained with a higher heating rate. After the experiment it was observed that the test item was evaporated from the sample container.

Experiment 3 was performed to determine the duplicate boiling temperature of the test item. The temperature program was similar as the program of Experiment 1. Similar results as with Experiment 1 were obtained. The extrapolated onset of the boiling peak was 324.681°C. 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 (325.499°C) and experiment 3 (324.681°C).

Applicant's summary and conclusion

Conclusions:
The boiling temperature of JNJ-25760046-AAA (T002680) was determined at 325.1°C (598.2K) by using DSC.
The atmospheric pressure was 1018 ± 1 hPa.