Benzene-1,3-dicarbonitrile

Melting point / freezing point

Link to relevant study record(s)

Reference

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Study period:

09 July 2019

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Assessed using appropriate methodology.

Qualifier:

according to guideline

Guideline:

other: DSC Method

Deviations:

no

Principles of method if other than guideline:

This method is not performed to GLP standards; it is an in-house method developed for internal QC procedures under an ISO 9001:2015 accredited Quality Management System.

Perform DSC analysis according to the method below:
DSC method
Melting point determination of IPN by DSC
DSC is performed on a TA Instruments Q2000 DSC.

a) Weigh the sample (ca. 2 mg) into an aluminum Tzero Pan and seal it hermetically using with a Tzero Hermetic Lid.
b) Place the sample pan in a vacant position in the autosampler.
c) Weigh one empty aluminum Tzero Pan and seal it hermetically using a Tzero Hermetic Lid (Reference).
d) Place the Reference pan in a vacant reference position in the autosampler
e) Enter mass of empty sample and reference pans and the mass of the sample where appropriate in the DSC software.
f) DSC data file name must contain the full sample ID, i.e. IPN-xxx-20xx-001-1
g) Prepare custom method with following test parameters
i) Method (Load file QC-mDOB from the QDSC methods folder):
(1) Equilibration at 140°C
(2) Temperature is ramped at a rate of 1 °C/min to 180°C.
h) Determine the melting point using the Integrate Peak/Sig Horizontal function under “Analyze” header in the TA Universal Analysis software.
i) Print the thermogram as pdf and upload in line in conjunction with QC Data Storage Protocols

GLP compliance:

no

Remarks:

study conducted to in-house methods.

Other quality assurance:

other: ISO 9001:2015

Type of method:

differential scanning calorimetry

Specific details on test material used for the study:

Test substance name: Isophthalonitrile
Chemical name: 1,3-dicyanobenzene
CAS number: 626-17-5
EC number: 210-933-7
LOT number: JB1906150101
Purity: 99.8 % (w/w %)
Appearance: Off white solid flakes
Manufacture date: 15 June 2019
Expiry date: 15 June 2020
Storage condition: Room temperature (15-25oC. below 70 RH%), protected from humidity
Safety Precautions: Routine safety precautions for unknown materials (lab coat. mask. gloves and safety glasses) were applied to assure personnel health and safety.

Key result

Melting / freezing pt.:

161.1 °C

Conclusions:

The melting point of IPN has been determined to be 161.1 °C by DSC.

Executive summary:

The melting point of IPN has been determined to be 161.1 °C by DSC.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

161.1 °C