4-{[4-(Dimethylamino)phenyl](phenyl)methylene}-N,N-dimethyl-2,5-cyclohexadien-1-iminium chloride - ethanedioic acid (1:1:1)

Basic Information

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CAS Number

2437-29-8

Molecular Formula

C25H27ClN2O4

Molecular Weight

927 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

164ºC

Density

0.8270

Water Solubility

60G/L(20ºC)

Solubility

110g/l

SMILES

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CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H25N2.C2H2O4.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;3-1(4)2(5)6;/h5-17H,1-4H3;(H,3,4)(H,5,6);1H/q+1;;/p-1

InChIKey

OQBKUFDTRQBFQR-UHFFFAOYSA-M

LogP

3.58460

pKa

6.9(at 25℃)

Complexity

666

Safety Information

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GHS Hazard Pictograms

H302

H318

H361

H410

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H318 Causes serious eye damage
Serious eye damage/eye irritation

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

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

Hazard Class

Class 6.1 Class 6.1

Stability

Stable. Substances to be avoided include strong oxidizing agents.

Sensitiveness

对光线敏感

Synonyms & References

English

N-[4-[[4-(Dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-methanaminium, ethanedioate, ethanedioate(2:2:1)
C.I. 4200
AKOS015910564
Tox21_110008_1
Ammonium, (4-(p-(dimethylamino)-alpha-phenylbenzylidene)-2,5-cyclohexadien-1-ylidene)-dimethyl-, oxalate (2:1), oxalate (1:1)
Malachite green oxalate 100 microg/mL in Acetonitrile
Oxalate Vert Malachite
C. I. BASIC GREEN
Oxalato de verde malaquita
Malachite Green oxalate salt (C.I. 42000)
N,N,N',N'-Tetramethyl-4,4'-diaminotriphenylcarbenium oxalate
AMY22393
13425-25-7
NCGC00091944-01
Malachite Green oxalate salt
AMMONIUM, (4-(P-(DIMETHYLAMINO)-.ALPHA.-PHENYLBENZYLIDENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)DIMETHYL-, OXALATE (1:1), OXALATE (1:1)
Aniline green, Basic green 4, Diamond green B, Victoria green B
MFCD00011766
ETHANEDIOIC ACID, ION(1-), N-(4-((4-(DIMETHYLAMINO)PHENYL)PHENYLMETHYLENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)-N-METHYLMETHANAMINIUM, ETHANEDIOATE (2:1)
Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, ethanedioate (2:2:1)
CHEMBL1545634
NCGC00091944-03
MALACHITE GREEN OXALATE SALT [MI]
Tox21_202521
Bis (N-{4-[[4-(dimethylamino)phenyl](phenyl)methylene]cyclohexa-2,5-dien-1-ylidene}-N-methylmethanaminium) trioxalate
H11046
Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, ethanedioate, ethanedioate (2:2:1)
MFCD00151209
FT-0628110
UNII-GY1H9O33VU
Oxalato Verde Malaquita

MDL Number

MFCD00011766

Customs Code

32041300

FAQ

What is 4-{[4-(Dimethylamino)phenyl](phenyl)methylene}-N,N-dimethyl-2,5-cyclohexadien-1-iminium chloride - ethanedioic acid (1:1:1) (CAS: 2437-29-8)?

4-{[4-(Dimethylamino)phenyl](phenyl)methylene}-N,N-dimethyl-2,5-cyclohexadien-1-iminium chloride - ethanedioic acid (1:1:1) is a complex organic chemical compound with the CAS number 2437-29-8. It features a cyclohexadienyl iminium group linked to a dimethylamino phenyl and phenylmethylene structure, combined with oxalic acid in a 1:1:1 ratio. This compound is known for its potential applications in chemical synthesis and pharmaceutical research due to its functional groups and reactivity.

What are the main uses of 4-{[4-(Dimethylamino)phenyl](phenyl)methylene}-N,N-dimethyl-2,5-cyclohexadien-1-iminium chloride - ethanedioic acid (1:1:1) (CAS: 2437-29-8)?

This compound is primarily used in pharmaceutical research as an intermediate for drug development, particularly in compounds targeting biological systems. It also serves in organic synthesis due to its reactive iminium and Schiff base functionalities. Additionally, it may find applications in industrial chemistry and dye manufacturing, leveraging its structural complexity and interactions with oxalic acid. Its use in food is limited, but it may be explored in specialized research contexts.

Is 4-{[4-(Dimethylamino)phenyl](phenyl)methylene}-N,N-dimethyl-2,5-cyclohexadien-1-iminium chloride - ethanedioic acid (1:1:1) (CAS: 2437-29-8) safe?

Safety of this compound depends on handling conditions. It is classified as a hazardous chemical due to its chloride and iminium groups, which may pose toxicity risks if inhaled, ingested, or contacted with skin. Precautions include wearing protective gloves, goggles, and ensuring proper ventilation. Safety standards recommend following OSHA and EPA guidelines, as well as consulting Material Safety Data Sheets (MSDS). It is not considered safe for direct human exposure without appropriate safeguards.

How should 4-{[4-(Dimethylamino)phenyl](phenyl)methylene}-N,N-dimethyl-2,5-cyclohexadien-1-iminium chloride - ethanedioic acid (1:1:1) (CAS: 2437-29-8) be stored?

This compound should be stored in a cool, dry place, away from light and moisture, in airtight containers to maintain stability. It is sensitive to humidity and may degrade if exposed to high temperatures or light. Storage conditions should ensure separation from incompatible substances, and the container should be labeled clearly. Proper storage is critical to prevent chemical reactions and maintain the integrity of the compound.