4-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-N-ethyl-N,N-dimethylanilinium dichlorozinc bromide chloride

• ChemBase ID: 103400
• Molecular Formular: C27H35BrCl3N3Zn
• Molecular Mass: 653.2299
• Monoisotopic Mass: 649.03713518
• SMILES: [Cl-].[Br-].CC[N+](C)(C)c1ccc(cc1)/C(=C/1\C=CC(=[N+](C)C)C=C1)/c1ccc(cc1)N(C)C.Cl[Zn]Cl
• Canonical SMILES: CC[N+](c1ccc(cc1)/C(=C/1\C=CC(=[N+](C)C)C=C1)/c1ccc(cc1)N(C)C)(C)C.Cl[Zn]Cl.[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

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[4-(dimethylamino)phenyl][4-(dimethyliminiumyl)cyclohexa-2,5-dien-1-ylidene]methyl}-N-ethyl-N,N-dimethylanilinium dichlorozinc bromide chloride
• IUPAC Traditional name: 4-{[4-(dimethylamino)phenyl][4-(dimethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-N-ethyl-N,N-dimethylanilinium zinc chloride bromide chloride
• Synonyms: Ethyl Green; CI 42590; 4-[[4-(Dimethylamino) phenyl][4-(dimethyliminio) cyclohexa-2,5-dien-1-ylidene] methyl]-N-ethyl-N,N-bromide chloride compound with zinc chloride; METHYL GREEN; Methyl Green; 乙基绿

Database IDs

• CAS Number: 7114-03-6
• EC Number: 230-415-4
• MDL Number: MFCD00151094
• Beilstein Number: 3914106
• PubChem SID: 162090679; 24897293; 24851860; 24859418
• PubChem CID: 16211442
• Color Index Number: 42590

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.3387468
• LogD (pH = 7.4): -2.2965856
• Log P: -2.2960205
• Molar Refractivity: 165.9452 cm^3
• Polarizability: 49.86273 Å^3
• Polar Surface Area: 6.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.); 233°C (dec)
• Absorption Wavelength: λmax 420 nm (2nd); λmax 423 nm (2nd); λmax 629 nm; λmax 635 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: PN3518500
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:36/37/38
• Safety Statements: 26-36; S:26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ~85%; Dye Content ~85%
• Grade: certified by the Biological Stain Commission
• Compostion: Dye content, 80%; Dye content, 85%
• Impurities: <0.5% crystal violet
• pH Range: 0.2 - 1.8, yellow to blue
• Linear Formula: C27H35BrClN3 · ZnCl2

DETAILS

MP Biomedicals - 02151652

C.I. 42590
Dye content: ~ 85%
A DNA stain used as a tracking dye in acid buffers for electrophoresis.

Sigma Aldrich - 323829

Application
Used in the Methyl Green-Pyronin methods to demonstrate DNA and RNA in tissue sections.
General description
% crystal violet by external standard
Other Notes
Zinc chloride salt
Packaging
5, 25 g in poly bottle

Sigma Aldrich - 198080

Packaging
10, 50 g in glass bottle
Suitability
Suitable for use as a DNA stain.

Sigma Aldrich - M8884

Analysis Note
Dye content based on molecular weight of monobromo-monochloro ZnCl2 salt (653.2).
包装
5, 25 g in poly bottle
Quality
Material may be a mixture of monobromo-monochloro and dichloro ZnCl2 salts. Halogen contents listed on label.