[4-([4-(Dimethylamino)phenyl]{4-[ethyl(dimethyl)ammonio]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](dimethyl)ammonium bromide chloride dichlorozinc (1:1:1:1)

Basic Information

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CAS Number

7114-03-6

Molecular Formula

C27H35BrCl3N3Zn

Molecular Weight

653.23 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

>300 °C

Boiling Point

°Cat760mmHg

Water Solubility

70 g/L (20 ºC)

Solubility

Soluble in water, ethanol; insoluble in xylene

SMILES

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

InChI

InChI=1S/C27H35N3.BrH.3ClH.Zn/c1-8-30(6,7)26-19-13-23(14-20-26)27(21-9-15-24(16-10-21)28(2)3)22-11-17-25(18-12-22)29(4)5;;;;;/h9-20H,8H2,1-7H3;4*1H;/q+2;;;;;+2/p-4

InChIKey

RRKSQWOQZFIQKW-UHFFFAOYSA-J

LogP

0.36490

Complexity

645

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Stability

Stable. Incompatible with strong oxidizing agents.

Sensitiveness

对光线敏感

Synonyms & References

English

Methyl Green, zinc chloride salt
C.I. 42590
Ethyl Green
Methyl green
DOUBLE GREEN SF
ETHYL GREEN ZINC CHLORIDE SALT
LIGHT GREEN B
Methyl Green, zinc chloride salt, certified, pure
Methyl Green, zinc chloride salt, pure, certified
METHYL GREEN,CERTIFIED
METHYL GREEN,FOR MICROSCOPY
METHYL GREEN,ZINC CHLORIDE
4-((4-(Dimethylamino)phenyl)(4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene)methyl)-N-ethyl-N,N-dimethylanilinium bromide chloride zinc chloride salt
QFQ95SNB21
Benzenaminium, 4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-N,N-dimethyl-, bromide chloride (1:1:1)
(alpha-(p-(Dimethylamino)phenyl)-alpha-(4-(methylimino)-2,5-cyclohexadien-1-ylidene)-p-tolyl)ethyldimethylammonium bromide methochloride
NSC3091
Benzenaminium, 4-[[4-(dimethylamino)phenyl][4-(dimethyliminio)-2,5-cyclohexadien-1-ylidene]methyl]-N-ethyl-N,N-di
Unii-qfq95snb21
Methyl green, zinc chloride

MDL Number

MFCD00151094

FAQ

What are the physical and chemical properties of [4-([4-(Dimethylamino)phenyl]{4-[ethyl(dimethyl)ammonio]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](dimethyl)ammonium bromide chloride dichlorozinc (CAS: 7114-03-6)?

The compound has a crystalline form and a high molecular weight. It exhibits good solubility in organic solvents but is poorly soluble in water. It is chemically reactive, particularly with nucleophiles. The compound is prone to hydrolysis and must be stored in a dry and inert atmosphere. Its reactivity and solubility properties make it useful in various chemical reactions.

How is [4-([4-(Dimethylamino)phenyl]{4-[ethyl(dimethyl)ammonio]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](dimethyl)ammonium bromide chloride dichlorozinc (CAS: 7114-03-6) typically synthesized?

The compound is typically synthesized through a multi-step process involving the formation of a cyclohexadienylidene complex, followed by the introduction of the dimethylammonium, bromide, chloride, and dichloro-zinc functionalities. Commonly used catalysts include Lewis acids, and the reaction conditions are optimized for yield and selectivity, often requiring precise control of temperature and pressure.

What industries use [4-([4-(Dimethylamino)phenyl]{4-[ethyl(dimethyl)ammonio]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](dimethyl)ammonium bromide chloride dichlorozinc (CAS: 7114-03-6)?

This compound finds applications in pharmaceuticals, where it can serve as a key intermediate in drug synthesis. It is also utilized in the polymer industry for the development of advanced materials, in sensors for detecting specific chemical species, and in semiconductor technology for its electronic properties.

What precautions should be taken when handling [4-([4-(Dimethylamino)phenyl]{4-[ethyl(dimethyl)ammonio]phenyl}methylene)-2,5-cyclohexadien-1-ylidene](dimethyl)ammonium bromide chloride dichlorozinc (CAS: 7114-03-6)?

Handling this compound requires robust safety measures. It should be conducted in a well-ventilated area or a fume hood, and appropriate personal protective equipment (PPE) such as gloves and safety goggles should be worn. Spills should be immediately cleaned up using appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed spill handling procedures. Storage should be in a cool, dry, and dark place away from moisture and direct sunlight.