4-benzyloxy-2-nitro-beta-pyrrolidinostyrene

Melting point / freezing point

Administrative data

Endpoint:

melting point/freezing point

Type of information:

experimental study

Adequacy of study:

key study

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Year:

2017

Report date:

2017

Materials and methods

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Version / remarks:

-

Deviations:

no

Test guideline 2

Qualifier:

according to guideline

Guideline:

EU Method A.1 (Melting / Freezing Temperature)

Version / remarks:

-

Deviations:

no

GLP compliance:

no

Type of method:

capillary method

Test material

Test material information

Constituent 1

Reference substance name:

Pyrrolidine, 1-[2-[2-nitro-4-(phenylmethoxy)phenyl]ethenyl]-

Cas Number:

99474-22-3

Molecular formula:

C19H20N2O3

IUPAC Name:

Pyrrolidine, 1-[2-[2-nitro-4-(phenylmethoxy)phenyl]ethenyl]-

Specific details on test material used for the study:

- Analytical purity: > 98.4%
 - Lot/batch No.: 0159115
 - Expiration date of the lot/batch: 21/02/2018

Results and discussion

Melting / freezing point

Key result

Melting / freezing pt.:

>= 110 - <= 111 °C

Atm. press.:

ca. 1 atm

Decomposition:

yes

Any other information on results incl. tables

Findings

Pre-Test

The test substance melted at 111 °C to a very dark opaque liquid.

Main Study

The following values were recorded:

Values Main Study

Melting point/range	Begin	End
First determination	110.2 °C (383.4 K)	111.0 °C (384.2 K)
Second determination	110.0 °C (383.2 K)	111.0 °C (384:2 K)

Results and Validity

Result Test substanceIMEXINE OBA/50 SEC

The mean between both determinations gives the following value for the melting range:

Melting range:                                           110.1 to 111:0 °C (383.3 to 384.2 K)

Standard deviation:                                  0.1 (begin); 0:0 (end)

Estimated accuracy:                                 ± 0.2 °C

Validity

All validity criteria were met, as can be taken from the following table.

Validity

Parameter	Criterion	Found	Assessment
Difference between duplicate determinations	=<0.5 K	0.2 K	valid
Difference between begin and end of melting process	=<0.5 K	0.9 K	melting range is stated

 

Applicant's summary and conclusion

Conclusions:

The mean between both determinations gives the following value for the melting range:
Melting range: 110.1 to 111:0 °C (383.3 to 384.2 K)
Standard deviation: 0.1 (begin); 0:0 (end)
Estimated accuracy: ± 0.2 °C

Executive summary:

The melting point of the test item has been determined with a not-GLP compliant study, according to the stadard guideline OECD TG 102. Using the capillary method, the mean between both determinations gives the following value for the melting range:

Melting range:       110.1 to 111:0 °C (383.3 to 384.2 K)

Standard deviation:       0.1 (begin); 0:0 (end)

Estimated accuracy:       ± 0.2 °C