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Physical & Chemical properties

Melting point / freezing point

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Reference
Endpoint:
melting point/freezing point
Type of information:
experimental study
Adequacy of study:
key study
Study period:
27 July 2017 - 15 November 2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study
Qualifier:
according to
Guideline:
OECD Guideline 102 (Melting point / Melting Range)
Deviations:
no
Qualifier:
according to
Guideline:
EU Method A.1 (Melting / Freezing Temperature)
Deviations:
no
Qualifier:
according to
Guideline:
EPA OPPTS 830.7200 (Melting Point / Melting Range)
Deviations:
no
GLP compliance:
yes (incl. certificate)
Type of method:
differential scanning calorimetry
Specific details on test material used for the study:
- Batch n°: M16LB4523
- Analytical purity: 99.8%
- Expiration date: 09 February 2018 (retest date)
- Storage condition: at room temperature
Key result
Melting / freezing pt.:
77.8 °C
Atm. press.:
1 013.25 hPa
Decomposition:
yes
Decomp. temp.:
> 225 °C
Remarks on result:
other: A yellowish to brown molten residue remained after the preliminary and main test, indicating reaction and/or decomposition.

Preliminary test

From the TGA curve it could be derived that the weight of the sample decreased significantly at 200°C. At 274°C the sample weight has decreased by 25%. After the experiment, a brown molten residue remained in the sample container (original colour: slightly yellow to yellowish brown). The change of the colour indicated reaction and/or decomposition of the test item.

Main tests

In order to determine the melting more precisely, the DSC curve with a heating rate of 20°C/min was obtained and showed an endothermic peak between 50°C and 100°C. The extrapolated onset temperature of the peak was 77.868°C. The effect was most likely obtained due to melting. A second endothermic peak was observed starting at 225°C due to reaction and/or decomposition of the test item. After the experiment, a brown molten molten residue remained. To investigate the melting peak between 50°C and 100°C, a repeated heating cycle was applied. The extrapolated onset temperature of the melting peak was 77.808°C. The melting temperature of 4-Nitrobenzene-1-sulfonyl chloride was determined as the average melting temperature obtained from Experiment 1 and Experiment 2 and equals 77.8°C (351.0K).

Conclusions:
The melting temperature of JNJ-39722280-AAA (4-nitrobenzene-1-sulfonyl chloride) was determined at 77.8°C (351.0K) by using DSC.

Description of key information

A GLP study was performed according to the OECD guideline 102, EU Method A.1 and EPA OPPTS 830.7200 without deviations (Reingruber, 2018). The melting point of 4-Nitobenzene-1-sulfonyl chloride was determined to be 77.8°C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:
77.8 °C

Additional information