2-nitro-4-(trifluoromethyl)benzonitrile

Explosiveness

Administrative data

Endpoint:

explosive properties of explosives

Type of information:

experimental study

Adequacy of study:

key study

Study period:

04 May - 15 Jul 2022

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Cross-reference

Reason / purpose for cross-reference:

reference to other study

Reference

Endpoint:

thermal stability

Type of information:

experimental study

Adequacy of study:

key study

Study period:

22 Feb - 01 Mar 2022

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 113 (Screening Test for Thermal Stability and Stability in Air)

GLP compliance:

yes (incl. QA statement)

Remarks:

GLP certifying authority: Ministerium für Arbeit, Gesundheit und Soziales des Landes Nordrhein-Westfalen, Düsseldorf, Germany

Remarks on result:

other: In a DSC, ca. 40 to ca. 500 °C, according to OECD 113, a strong exothermic decomposition reaction is observed from 141 °C (closed metal vessel, V4A, heating rate 1 K/min), with a decomposition energy > 4450 J/g.

Sealed glass ampoule results:

No.	Sample Mass in mg	Temperature Range in °C	Type of effect	Energy in J/g
1	27.0	approx. 40 - approx. 70	endothermic
		265 - > 500	exothermic	> 2400
2	24.3	approx. 40 - approx. 70	endothermic
		269 - > 500	exothermic	> 2450

An exothermic effect was observed in the temperature range beginning at 265 °C. The exothermic reaction was not finished at the end of the measurement range at 500 °C. The decomposition energy is more than 2400 J/g.

Closed metal vessel (V4A-steel) results:

No.	Sample Mass in mg	Temperature Range in °C	Type of effect	Energy in J/g
1	103.6	approx. 40 - approx. 70	endothermic
		141 - > 500	exothermic	> 4450

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2022

Report date:

2022

Materials and methods

Test guideline

Qualifier:

according to guideline

Guideline:

UN Manual of Tests and Criteria: Part I: Classification procedures, test methods and criteria relating to explosives of Class 1

Version / remarks:

UN Manual of Tests and Criteria, rev. 7 (2019), Appendix 6

GLP compliance:

yes (incl. QA statement)

Remarks:

GLP certifying authority: Hess. Ministerium für Arbeit, Gesundheit und Soziales des Landes Nordrhein-Westfallen, Düsseldorf, Germany

Test material

Test material information

Constituent 1

Reference substance name:

2-nitro-4-(trifluoromethyl)benzonitrile

EC Number:

212-298-1

EC Name:

2-nitro-4-(trifluoromethyl)benzonitrile

Cas Number:

778-94-9

Molecular formula:

C8H3F3N2O2

IUPAC Name:

2-nitro-4-(trifluoromethyl)benzonitrile

Results and discussion

Results of test series for explosives

Results of test series for explosives 1

Test series:

other: UN Test series F

Method:

other: UN Test F.3: BAM Trauzl test with standard No 8 detonator

Parameter:

other: expansion of the lead block per 10 g sample (cm³)

Value:

13

Result:

other: explosive power 'Low'

Remarks on result:

other: The volume increase per 10 g test item is ≥ 10 mL and < 25 mL, the result is “low”.

Results of test series for explosives 2

Test series:

UN Test series 2

Method:

UN Test 2 (a): UN gap test

Parameter:

other: fragmentation

Result:

negative, not sensitive to detonative shock

Remarks on result:

other: tube not fragmented and witness plate not holed

Results of test series for explosives 3

Test series:

UN Test series 1

Method:

UN Test 1 (b): Koenen test

Parameter:

limiting diameter (mm)

Result:

other: negative, no effect on heating under confinement

Remarks on result:

other: limiting diameter less than 1 mm

Results of test series for explosives 4

Test series:

UN Test series 2

Method:

UN Test 2 (b): Koenen test

Parameter:

limiting diameter (mm)

Result:

negative, no violent effect on heating under confinement

Remarks on result:

other: limiting diameter less than 1 mm

Results of test series for explosives 5

Test series:

UN Test series 1

Method:

UN Test 1 (c) (i): Time/pressure test

Parameter:

other: time for pressure rise from 690 kPa to 2070 kPa

Result:

other: negative, no deflagration

Remarks on result:

other: 2070 kPa gauge not reached

Results of test series for explosives 6

Test series:

UN Test series 2

Method:

UN Test 2 (c) (i): Time/pressure test

Parameter:

other: time for pressure rise from 690 kPa to 2070 kPa

Result:

negative, no or slow deflagration

Remarks on result:

other: 2070 kPa gauge not reached

Any other information on results incl. tables

Trauzl-Test

 

The results are summarized in the Table below:

No.	Mass	Volume Before test	Volume After test	Increase of Volume
1	14.2 g	60.9 mL	78.6 mL	17.7 mL	12.5 mL / 10 g
2	13.9 g	60.4 mL	80.3 mL	19.9 mL	14.3 mL / 10 g

Test result: low

Since the determined volume increase per 10 g test item is ≥ 10 mL and < 25 mL, the result is “low”. The UN gap test according to UN-MTC procedure was necessary.

 

UN Gap Test

The results are summarized in the Table below:

No.	Sample nr.	Mass	Steel tube after Test	Witness Plate after Test
1	132046	771.0 g	not fragmented	not holed or punched
2	132196	760.2 g	not fragmented	not holed or punched

Test result: negative

 

Koenen test
The Koenen test was started with a diameter of 5 mm and subsequently continued with 3 mm, 2 mm, 1.5 mm and 1 mm. The physical state of the test item (solid) excludes the enrichment of high-energy components caused by evaporation of volatile solvents. Therefore, an explosion with larger nozzles could be excluded. 7 tests were performed. Tests were performed with a circular nozzle plate with a hole of varying diameters.The results are shown in Table below.

No.	Orifice Diameter	Mass	Reaction Initiation after	Results
1	1 mm	39.3 g	69 s	no fragments, cartridge unchanged
2	1 mm	39.3 g	66 s	no fragments, cartridge unchanged
3	1 mm	39.3 g	69 s	no fragments, cartridge unchanged
4	2 mm	39.3 g	72 s	no fragments, cartridge unchanged
5	2 mm	39.3 g	67 s	no fragments, cartridge unchanged
6	2 mm	39.3 g	69 s	no fragments, cartridge unchanged

Result: “ — “, no effect on heating under confinement with a limiting diameter less than 1 mm.

 

Time / pressure test
Table below shows the used amounts of sample and the results from the Time / pressure test. 

No.	Mass	Max. Pressure	Time from 690 kPa to 2070 kPa
1	5.0 g	1438 kPa	N/A (2070 kPa was not reached)
2	5.0 g	1125 kPa	N/A (2070 kPa was not reached)
3	5.0 g	1188 kPa	N/A (2070 kPa was not reached)

Result: “ ̶ “, the substance shows no deflagration.

 

Applicant's summary and conclusion

Interpretation of results:

GHS criteria not met

Remarks:

due to 'low' results from the BAM Trauzl test, and negative results from UN tests 1(b) (effect of heating under confinement) and 1 (c) (effect of ignition under confinement), and UN tests 2(a) (UN Gap test), the test item can be excluded from classification in class 1 (explosives) according to series 1 and 2 of the UN Manual of Tests and Criteria, revision 7 (2019).