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

Basic Information

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CAS Number

548-62-9

Molecular Formula

C25H30ClN3

Molecular Weight

407.98 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

205 °C (dec.)

Boiling Point

560.86°C (rough estimate)

Water Solubility

16 g/L (25 ºC)

Flash Point

40 °C

Solubility

water: soluble50g/L at 27°C

Refractive Index

1.6010 (estimate)

Vapor Pressure

No data available

SMILES

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[Cl-].CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C

InChI

InChI=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

InChIKey

ZXJXZNDDNMQXFV-UHFFFAOYSA-M

LogP

1.46360

pKa

9.4(at 25℃)

Complexity

542

Safety Information

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GHS Hazard Pictograms

H302

H318

H351

H410

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

H351 Suspected of causing cancer
Carcinogenicity

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Stability

Stable. Incompatible with strong oxidizing agents, strong acids. Light-sensitive. Combustible.

Sensitiveness

对光线敏感

Toxicity

LD50 orally in mice, rats: 1.2, 1.0 g/kg (Hodge)

Synonyms & References

English

Crystal Violet
PYOKTANIN BLUE
S NO 785
VIOLET 7B
BASIC VIOLET 3
BRILLIANT VIOLET
CALCOZINE VIOLET 6BN
GRAM STAIN NO 1
GRAM STAIN
Crystal Violet Hydrate
Crystal Violet Hydrate[for Biochemical Research]
Gentian violet
C.I.42555
CRYSTAL VIOLET (C.I. 42555) FOR MICROSCOPY
Gentianviolet(crystal)
42535
C.I. 42535+42555
Crystal Violet, indicator, pure
Crystal Violet, pure, high purity biological stain
GieMsa stain
Hexamethylpararosaniline chloride
Methyl Violet 10B
Basic Violet 3 Hydrate
Hexamethylpararosaniline Chloride Hydrate
[4-[4,4'-Bis(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride
Methyl violet
C.I. 42555
Gentian violet（FMP）
Aniline Violet
Methylrosaniline chloride
Hexamethyl Violet

MDL Number

MFCD00011750

Customs Code

32041300

FAQ

What is 4-{Bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethyl-2,5-cyclohexadien-1-iminium chloride (CAS: 548-62-9)?

4-{Bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethyl-2,5-cyclohexadien-1-iminium chloride (CAS: 548-62-9) is a synthetic organic compound containing a cyclohexadien-1-iminium chloride core and two phenyl groups substituted with dimethylamino groups. It is a quaternary ammonium salt with a conjugated system, commonly used in chemical synthesis and pharmaceutical research due to its reactive functional groups and structural versatility.

What are the main uses of 4-{Bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethyl-2,5-cyclohexadien-1-iminium chloride (CAS: 548-62-9)?

This compound (CAS: 548-62-9) is primarily used as an intermediate in pharmaceutical development, particularly for synthesizing dyes and organic compounds with aromatic functionalities. Its unique structure makes it valuable in research for applications in photochemistry, material science, and as a precursor for functionalized molecules in industrial processes.

Is 4-{Bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethyl-2,5-cyclohexadien-1-iminium chloride (CAS: 548-62-9) safe?

Safety of this compound (CAS: 548-62-9) depends on handling conditions. It may cause skin and eye irritation, and inhalation of vapors could pose health risks. Proper protective measures, such as gloves, goggles, and ventilation, are recommended. Always follow OSHA and local safety guidelines, and consult safety data sheets for specific precautions.

How should 4-{Bis[4-(dimethylamino)phenyl]methylene}-N,N-dimethyl-2,5-cyclohexadien-1-iminium chloride (CAS: 548-62-9) be stored?

Store this compound (CAS: 548-62-9) in a cool, dry place (ideally 2-8°C), away from light and moisture. Use sealed, airtight containers to prevent degradation. Keep it in a well-ventilated area to avoid exposure to vapors, and ensure storage conditions maintain its stability and prevent contamination.