Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (1R,3R)-rel-

Explosiveness

Administrative data

Endpoint:

explosiveness, other

Type of information:

experimental study

Adequacy of study:

key study

Study period:

30 Oct 2017 to 13 Feb 2018

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 guideline

Qualifier:

according to guideline

Guideline:

other: Annex 6 of UN recommendations on the Transport of Dangerous Goods, Manual of Tests and Criteria, Sixth Revised Edition 2015

Principles of method if other than guideline:

- Principle of test: The test was carried out in accordance with ASTM E5387 using Differential Scanning Calorimetry (DSC), which provides a suitable technique for measuring the exothermic decomposition energy as required for screening potential explosive substances.
- Short description of test conditions: The test sample is heated trough a specified temperature range at a constant reate, the heat flow measured and the resutls displayed as a plot of power versus temperature/time. The resulting thermogram is analysed for the presence of exothermic events which may be dut to decomposition. The nergy output (J/g) is calculated by integration of the areas beneath the exothermic peaks.

The test was carried out under the conditions listed below:
Sample preparation: Tested as received
Sample weight: 3.8 mg
Crucible type: High pressure gold-plated stainless steel, 40 ul
Pure gas /flow rate: Nitrogen / 50-100 ml/min
Temperature profile: 25°C to 500°C at 5°C/min

GLP compliance:

yes

Remarks:

The study was conducted in compliance with the UK Principles of Good Laboratory Practice (The UK GLP Regulations 1999, as amended 2004). The Principles are in accordance with OECD Principles of Good Laboratory Practice, revised 1997 (ENV/MC/CHEM(98)17)

Test material

Test material information

Constituent 1

Reference substance name:

reaction mass of (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid and (1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid

EC Number:

614-283-9

Cas Number:

68127-59-3

Molecular formula:

C9H10ClF3O2

IUPAC Name:

reaction mass of (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid and (1S,3S)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid

Test material form:

solid

Results and discussion

Small-scale preliminary tests

Key result

Parameter:

other: heat of decomposition

Remarks:

Unit is J/g

Value:

420

Any other information on results incl. tables

The thermograms shows a sharp endothermic peak at 111°C, which is attributed to melting, followed by a broader exothermic peak from 269-351°C. The total normalized energy output from the exothermic peak, i.e. the heat of decomposition is 420 J/g

Applicant's summary and conclusion

Interpretation of results:

other: not classified as an explosive substance

Conclusions:

The heat of decomposition of the test substance is below 500 J/g threshold specified by the United Nations. Therefore, the test substance is not calssified as an explosive substance and no further testing is required.

Executive summary:

The thermograms shows a sharp endothermic peak at 111°C, which is attributed to melting, followed by a broader exothermic peak from 269-351°C. The total normalized energy output from the exothermic peak,  i.e. the heat of decomposition is 420 J/g.

Appendix 6 of the UN Recommendations of the Transport of Dangerous Goods, Manual or Tests and Criteria states that substances having exothermic decomposition energies of less that 500 j/g should not be considered for classification as explosives.

The heat of decomposition of the test substance is below 500 J/g threshold specified by the United Nations. Therefore, the test substance is not calssified as ane explosive substance and no further testing is required.