(2R)-2-(2,4-difluorophenyl)-1,1-difluoro-1-{5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl}-3-(1H-tetrazol-1-yl)propan-2-ol

Explosiveness

Link to relevant study record(s)

Reference

Endpoint:

explosive properties of explosives

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2018-10-31 to 2018-12-17

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

guideline study with acceptable restrictions

Qualifier:

according to guideline

Guideline:

other: UN Recommendations on the Transport of Dangerous Goods (RTDG) - Manual of Tests and Criteria 6th revised edition

Qualifier:

according to guideline

Guideline:

other: European Council Regulation (EC) No 440/2008

Qualifier:

according to guideline

Guideline:

other: German Explosives Act (SprengG)

GLP compliance:

no

Key result

Test series:

UN Test series 1

Method:

UN Test 1 (a): UN gap test

Parameter:

other: Propagation of a detonation

Result:

result is considered "+" (positive)

Remarks on result:

other: The substance is able to propagate a detonation

Key result

Test series:

UN Test series 2

Method:

UN Test 2 (a): UN gap test

Parameter:

other: Sensitivity to detonative shock

Result:

result is considered "-" (negative)

Remarks on result:

other: The substance is not sensitive to a detonative shock

Key result

Test series:

UN Test series 1

Method:

UN Test 1 (b): Koenen test

Parameter:

other: Sensitiveness to effect of intense heat under high confinement

Result:

result is considered "-" (negative)

Remarks on result:

other: No violent effect on heating under confinement

Key result

Test series:

UN Test series 1

Method:

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

Parameter:

other: Ability of a substance under confinement to propagate deflagration

Result:

result is considered "-" (negative)

Remarks on result:

other: No ability to deflagrate

Key result

Test series:

UN Test series 3

Method:

UN Test 3 (a) (ii): BAM Fallhammer

Parameter:

other: Sensitiveness to drop-weight impact

Result:

result is considered "-" (negative)

Remarks on result:

other: No sensitiveness to drop-weight impact

Key result

Test series:

UN Test series 3

Method:

UN Test 3 (b) (i): BAM friction apparatus

Parameter:

other: Sensitiveness to friction stimuli

Result:

result is considered "-" (negative)

Remarks on result:

other: No sensitiveness to friction stimuli

UN gap test: UN test 1(a):

In both trials the witness plate remained unaffected, but the steel tube was fragmented. In the first trial the top part of the steel tube was torn into three parts and the bottom half was only ripped open. In the second trial the steel tube was completely fragmented into six major pieces. Thus, the substance is able to propagate a detonation.

For the assessment the result of the UN gap test 1(a) is considered as positive (+).

UN gap test: UN test 2(a):

In both trials the steel tube as well as the witness plate remained unaffected. The substance in the tube was compressed by the detonative shockwave, but remained as a white powder.

The substance is not sensitive to a detonative shock.

For the assessment the result of the UN gap test 2(a) is considered as negative (‐).

Koenen test: UN test 1(b) and (EC) No 440/2008 A.14:

The individual test results are given in the following Table 1.

Table 1: Individual test results

Orifice diameter	Mass	Reaction times			Fragmentation
		T1	T1+T2	T2
1.0 mm	17.7 g	10 s	60 s	50 s	B
1.0 mm	17.8 g	15 s	85 s	70 s	O
1.0 mm	17.7 g	15 s	90 s	75 s	B

T1 = start of reaction; T1+T2 = end of reaction; T2= duration of reaction

With an orifice diameter of 1.0 mm the reaction started after 10‐15 seconds with a flame of 0.5 m in high and ended after 50‐70 seconds. In two trials the tube was bulged out (fragmentation type “B”), in one trial the tube was unaffected (fragmentation type “O”).

The substance shows no violent effect on heating under confinement at an orifice diameter of 1.0 mm. The limiting diameter is below 1.0 mm.

For the assessment the result of the Koenen test is considered as negative (‐).

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

The individual results are given in the following Table 2.

Table 2: Individual test results

Amount	Pmax	2070 kPa reached	Result
5 g	1680 kPa	No	-
5 g	1100 kPa	No	-
5 g	1390 kPa	No	-

In all three trials the minimum pressure of 2070 kPa was not reached. The substance shows no ability to deflagrate.

For the assessment the result of the time/pressure test is considered as negative (-).

Sensitiveness to impact: UN test 3(a)(ii) and (EC) No 440/2008 A.14:

The individual results are given in Table 3.

Table 3: Individual test results

Drop weight	High	Energy	1	2	3	4	5	6
10 kg	40 cm	40 J	D	D	D	D	D	D
			97.3 dB	96.8 dB	95.6 dB	97.1 dB	96.6 dB	98.1 dB

With an impact energy of 40 J the sample showed decomposition of the substance (dark‐brown discoloration) in all trials. This decomposition has to be considered as a negative result. The average sound pressure level measured with an audio analyzer is an additional criterion for a positive result. The apparatus itself has a level of 97 dB. The measured sound pressure level was maximum 98.1 dB, also indicating a negative result. The limiting load is > 40 J.

The test result is considered as negative (‐).

Sensitiveness to friction: UN test 3(b)(i) and (EC) No 440/2008 a.14:

The individual results are given in Table 4.

Table 4: Individual test results

Load	1	2	3	4	5	6
360 N	-	-	-	-	-	-

With a load of 360 N the sample showed no reaction in all 6 trials.

The limiting load is > 360 N.

The test result is considered as negative (‐).

Burning rate test: UN test N.1 and (EC) No 440/2008 A.10:

A burning rate test according to UN test N.1 has been conducted with the test item (see IUCLID section 4.13). In contact of the hot flame of a small gas burner the substance cannot be ignited. The substance is not a flammable solid of class 4.1.

DSC (ASTM E 537 -76):

A DSC measurement has been conducted with the test item (see IUCLID section 4.2). The substance shows first an endothermic melting signal with an onset at 101 °C. Between 161 °C and 450 °C the substance shows a complex exothermic decomposition with several peaks and an overall energy content of 1375 J/g. The most prominent peak of this group is the first one with an onset temperature of 190 °C and a maximum heat flow of 1.4 W/g at 219 °C.

Heat accumulation storage test (SADT): UN test H.4:

As the onset‐temperature of the exothermic decomposition in the DSC is 190 °C and therefore more than 100 K above 75 °C, the SADT was not determined.

Interpretation of results:

GHS criteria not met

Conclusions:

The test item is assessed as follows:
- The test item is not an explosive substance according to the German Explosives Act (SprengG)
- According to Commission Regulation (EC) No 440/2008 test A.14 the substance presents not a danger of explosion
- According to the "UN Recommendations on the Transport of Dangerous Goods - Manual of Tests and Criteria 6th revised edition" and "Model Regulations", test series 1, the substance is an explosive substance (positive UN gap test 1(a)), but it is too insensitive for acceptance in class 1. Therefore the substance is not a substance of class 1. According to test series 3 the material is not too dangerous for transport in the form which has been tested
- According to the burning rate test N.1 of the UN-RTGD, GHS Regulation (EC) No 1272/2008 and Council Regulation (EC) No 440/2008 test A.10, the substance is not a flammable solid (see IUCLID section 4.13)
- Due to the high onset temperature of the decomposition in the DSC, it is very unlikely that the substance shows self-reactive or self-heating properties. Therefore the substance is not considered as a self-reactive substance of division 4.1.

Executive summary:

The test item shows in the DSC (closed crucible) a melting point at 101 °C and a highly exothermic decomposition with an energy content of 1375 J/g at onset 190 °C. Due to the high energy content the substance was tested for explosive properties. In UN test series 1 the substance is able to propagate a detonation, but shows no effect on heating under confinement at a limiting diameter of 1.0 mm and shows no ability to deflagrate. In UN test series 2 the substance is not sensitive to detonative shock. As no effect in heating under confinement and no deflagration have been observed in test series 1, these properties will be also negative in test series 2. As a result, the substance did not pass the acceptance procedure for class 1. By the hot flame of a small gas burner the substance cannot be ignited. The substance has not to be considered as a flammable solid and further burning rate tests are not necessary. Self‐reactive properties have not been tested due to the high onset temperature of the decomposition measured by DSC. The difference between the onset temperature and the temperature that has to be maintained for 7 days is more than 100 K, so it is very unlikely that the substance shows self‐reactive behavior. Self‐heating properties cannot be tested because the melting point of the substance (101 °C) is too low for tests at 100 °C, 120 °C, and 140 °C in a wire mesh cube.

The test item is assessed as follows:

- The test item is not an explosive substance according to the German Explosives Act (SprengG)

- According to Commission Regulation (EC) No 440/2008 test A.14 the substance presents not a danger of explosion

- According to the "UN Recommendations on the Transport of Dangerous Goods - Manual of Tests and Criteria 6th revised edition" and "Model Regulations", test series 1, the substance is an explosive substance (positive UN gap test 1(a)), but it is too insensitive for acceptance in class 1. Therefore the substance is not a substance of class 1. According to test series 3 the material is not too dangerous for transport in the form which has been tested

- According to the burning rate test N.1 of the UN-RTGD, GHS Regulation (EC) No 1272/2008 and Council Regulation (EC) No 440/2008 test A.10, the substance is not a flammable solid (see IUCLID section 4.13)

- Due to the high onset temperature of the decomposition in the DSC, it is very unlikely that the substance shows self-reactive or self-heating properties. Therefore the substance is not considered as a self-reactive substance of division 4.1.

Description of key information

The test item is assessed as follows:

- The test item is not an explosive substance according to the German Explosives Act (SprengG)

- According to Commission Regulation (EC) No 440/2008 test A.14 the substance presents not a danger of explosion

- According to the "UN Recommendations on the Transport of Dangerous Goods - Manual of Tests and Criteria 6th revised edition" and "Model Regulations", test series 1, the substance is an explosive substance (positive UN gap test 1(a)), but it is too insensitive for acceptance in class 1. Therefore the substance is not a substance of class 1. According to test series 3 the material is not too dangerous for transport in the form which has been tested

- According to the burning rate test N.1 of the UN-RTGD, GHS Regulation (EC) No 1272/2008 and Council Regulation (EC) No 440/2008 test A.10, the substance is not a flammable solid (see IUCLID section 4.13)

- Due to the high onset temperature of the decomposition in the DSC, it is very unlikely that the substance shows self-reactive or self-heating properties. Therefore the substance is not considered as a self-reactive substance of division 4.1.

Key value for chemical safety assessment

Explosiveness:

non explosive

Justification for classification or non-classification

Based on the results of the conducted tests on explosive properties of the test item no classification is required.