4-{[4-(dimethylamino)phenyl][4-(methylimino)cyclohexa-2,5-dien-1-ylidene]methyl}-N,N-dimethylaniline hydrochloride

• ChemBase ID: 102622
• Molecular Formular: C24H28ClN3
• Molecular Mass: 393.95222
• Monoisotopic Mass: 393.19717559
• SMILES: Cl.C/N=C\1/C=C/C(=C(/c2ccc(cc2)N(C)C)\c2ccc(cc2)N(C)C)/C=C1
• Canonical SMILES: C/N=C/1\C=C/C(=C(\c2ccc(cc2)N(C)C)/c2ccc(cc2)N(C)C)/C=C1.Cl
• InChI: InChI=1S/C24H27N3.ClH/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;/h6-17H,1-5H3;1H
• InChIKey: JFTBTTPUYRGXDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[4-(dimethylamino)phenyl][4-(methylimino)cyclohexa-2,5-dien-1-ylidene]methyl}-N,N-dimethylaniline hydrochloride
• IUPAC Traditional name: 4-{[4-(dimethylamino)phenyl][4-(methylimino)cyclohexa-2,5-dien-1-ylidene]methyl}-N,N-dimethylaniline hydrochloride
• Synonyms: Basic Violet I; Basic Violet K; CI 42535; Methyl Violet BB; METHYL VIOLET 2B; C.I. 42535; Methyl violet 2B; Pyoktanin Blue; Basic Violet 1; Methyl violet 2B; Methyl violet; 甲基紫2B; 甲基紫 2B; Pyoktanin Blue; 甲基紫 2B; 碱性紫 1; 甲基紫

Database IDs

• CAS Number: 8004-87-3
• MDL Number: MFCD00012568
• Beilstein Number: 8464808
• PubChem SID: 24851861; 24888461; 24885965; 162088161
• PubChem CID: 196986
• Color Index Number: 42535

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6645453
• LogD (pH = 7.4): 3.142713
• Log P: 4.9119773
• Molar Refractivity: 129.8923 cm^3
• Polarizability: 43.73212 Å^3
• Polar Surface Area: 18.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 137 °C (dec.)(lit.); 137°C
• Absorption Wavelength: λmax 584 nm

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: CX9899550; GC8425000
• European Hazard Symbols: Nature polluting (N); X; Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Australian Hazchem: 2X
• Risk Statements: 22; 22-36; 22-40-50; 22-50; R:22
• Safety Statements: 26-36; 36/37-61; 61; S:36/37/39
• EU Classification: T2
• EU Hazard Identification Number: 6.1B
• Emergency Response Guidebook(ERG) Number: 154
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319; H302-H351-H400; H302-H400
• GHS Precautionary statements: P273; P273-P281; P280-P264-P305+P351+P338-P301+P312-P337+P313-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: Dye Content ~85%
• Grade: certified by the Biological Stain Commission; for microscopy (Bact., Bot., Hist.); indicator (pH 0.1-2.0); indicator grade; SAJ first grade; SAJ special grade
• Compostion: Dye content, 75%

DETAILS

MP Biomedicals - 02102362

Dye content: ~ 85%
Used with Crystal Violet and Bismarck Brown Y for staining metachromatic granules of diphtheria organisms. pH indicator 0.1 to 2.0

Sigma Aldrich - 69710

General description
Methyl Violet 2B is a mixture of polymethylated (4,5 and 6) pararosaniline chlorides

Sigma Aldrich - 198099

General description
Methyl Violet 2B is a mixture of polymethylated (4,5 and 6) pararosaniline chlorides
Packaging
25, 100 g in glass bottle
Suitability
Certified for use in Flemming triple stain with iodine for chromosomes; Newton′s crystal violet-iodine technique for chromatin and nucleoli; Lieb′s amyloid stain.

Sigma Aldrich - 858404

General description
Methyl Violet 2B is a mixture of polymethylated (4,5 and 6) pararosaniline chlorides

Sigma Aldrich - 24-6450

General description
Methyl Violet 2B is a mixture of polymethylated (4,5 and 6) pararosaniline chlorides

Sigma Aldrich - 24-6460

General description
Methyl Violet 2B is a mixture of polymethylated (4,5 and 6) pararosaniline chlorides