4-{Bis[4-(diethylamino)phenyl]methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium chloride

Basic Information

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CAS Number

2390-59-2

Molecular Formula

C31H42ClN3

Molecular Weight

492.14 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

>250°C

Boiling Point

631.13°C (rough estimate)

Water Solubility

Soluble in water (10 mg/ml).

Solubility

H2O: 10 mg/mL, very deep purple

Refractive Index

1.6010 (estimate)

SMILES

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CC/[N+](CC)=C1C=C/C(C=C/1)=C(C2=CC=C(N(CC)CC)C=C2)\C3=CC=C(N(CC)CC)C=C3.[Cl-]

InChI

InChI=1S/C31H42N3.ClH/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;/h13-24H,7-12H2,1-6H3;1H/q+1;/p-1

InChIKey

JVICFMRAVNKDOE-UHFFFAOYSA-M

LogP

3.80420

Complexity

615

Safety Information

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GHS Hazard Pictograms

H412

Hazard Statement

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

Ethyl Violet [Sensitive spectrophotometric reagent for anionic surfactants]
[4-[bis[4-(diethylamino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-diethylazanium,chloride
Ethyl Violet
ETHYL VIOLET, C.I. NO. 42600
(4-{Bis[4-(diethylamino)phenyl]methylene}-2,5-cyclohexadien-1-ylidene)diethylammonium chloride
4,4',4''-Tris-diaethylamino-tritylium,Chlorid
4,4',4''-tris-diethylamino-tritylium,chloride
Aethylviolett
Basic
C.I. Basic Violet 4
Ethyl crystal violet
Ethyl purple 6B
Ethyl Violet AX
Hydrochloride of hexapararosaniline
Lowacryl Violet 4
Shikiso Acid Brilliant Blue 6B
C.I. 42600
Basic violet 4
C.I. 42600
Ethyl Violet GGA
Tris(p-(diethylamino)phenyl)methylium chloride
Ethyl Violet (Biological Stain)
94UZ9RD7TJ
MLS002702521
Ethyl Violet (C.I. 42600)
Ethyl Violet, 80%
(4-(Bis(4-(diethylamino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)diethylammonium chloride
Ethanaminium, N-(4-(bis(4-(diethylamino

MDL Number

MFCD00011765

Customs Code

2921499090

FAQ

What are the physical and chemical properties of 4-{Bis[4-(diethylamino)phenyl]methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium chloride (CAS: 2390-59-2)?

4-{Bis[4-(diethylamino)phenyl]methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium chloride is a crystalline compound with a molecular weight of approximately 538.67 g/mol. It has moderate solubility in common organic solvents like acetonitrile and methanol. The compound is known for its high reactivity, particularly towards nucleophiles and acidic conditions.

How is 4-{Bis[4-(diethylamino)phenyl]methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium chloride (CAS: 2390-59-2) typically synthesized?

4-{Bis[4-(diethylamino)phenyl]methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium chloride is synthesized through a multistep process involving the formation of an intermediate dienamine and subsequent methylene transfer reaction. Common catalysts include triphenylphosphine, and the process yields a product with high purity and selectivity.

What industries use 4-{Bis[4-(diethylamino)phenyl]methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium chloride (CAS: 2390-59-2)?

4-{Bis[4-(diethylamino)phenyl]methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium chloride is used in the pharmaceutical industry for its electronic properties, which facilitate the development of new drug candidates. It also finds application in the polymer industry for its ability to enhance material properties. Additionally, it is used in sensors and semiconductors due to its unique electronic characteristics.

What precautions should be taken when handling 4-{Bis[4-(diethylamino)phenyl]methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium chloride (CAS: 2390-59-2)?

When handling 4-{Bis[4-(diethylamino)phenyl]methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium chloride, ensure the use of personal protective equipment (PPE) including gloves, goggles, and a lab coat. Handle the compound in a fume hood to avoid inhalation. In the event of a spill, follow standard chemical spill procedures and consult the Safety Data Sheet (SDS) for specific instructions.