[4-[4,4'-bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride

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

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Justification for type of information:

Experimental result performed using standard methods of analysis

Qualifier:

according to guideline

Guideline:

OECD Guideline 102 (Melting point / Melting Range)

Principles of method if other than guideline:

The melting point of N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride was determined

GLP compliance:

not specified

Type of method:

capillary method

Specific details on test material used for the study:

- Name of test material: Gentian violet
- IUPAC name: N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride
- Molecular formula: C25H30ClN3
- Molecular weight: 407.986 g/mole
- Smiles : C(\c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)=C1\C=C\C(=[N+](/C)C)C=C1.[ClH-]
- Inchl: 1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1
- Substance type: Organic
- Physical state: Solid green powder

Key result

Melting / freezing pt.:

>= 198 - <= 250 °C

Remarks on result:

other: Softening and sticking to wall at ~205°C

Conclusions:

Thus the melting point of N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride observed in the range of 198-250 °C.

Executive summary:

The melting point of N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride was calculated according to OECD Guideline 102 by using capillary viscometer (static).

The substance N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride starts melting and swelling at 198°C, does not completely melt till 250°C. Softening and sticking to wall observed at ~205°C.

Thus the melting point of N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride observed in the range of 198-250 °C.

Description of key information

Thus the melting point of N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride observed in the range of 198-250 °C.

Key value for chemical safety assessment

Melting / freezing point at 101 325 Pa:

198 °C

Additional information

Based on available data from various reliable sources such as authoritative database, handbooks and study reports,

the melting point chemical N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloridewas determined as followed,

According to first study the melting point of N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N- methylmethanaminium chloride was calculated according to OECD Guideline 102 by using capillary viscometer (static).

The substance N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride starts melting and swelling at 198°C, does not completely melt till 250°C. Softening and sticking to wall observed at ~205°C.

Thus the melting point of N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride observed in the range of 198-250 °C.

Other supporting studies from various reliable resources like authoritative database and handbooks, exhibited the melting point of chemical N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride as 215 ˚C which is in the range of selected key study.

Data from one more supporting study determined the melting point chemical N-(4-{bis[4-(dimethylamino)phenyl]methylene}cyclohexa-2,5-dien-1-ylidene)-N-methylmethanaminium chloride in the range of 205-215 ˚C which is also in the range of selected key study.