4-{[4-(dimethylamino)phenyl](phenyl)methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium hydrogen oxalate

• ChemBase ID: 130863
• Molecular Formular: C25H26N2O4
• Molecular Mass: 418.48494
• Monoisotopic Mass: 418.18925732
• SMILES: CN(C)c1ccc(cc1)/C(=C/1\C=CC(=[N+](C)C)C=C1)/c1ccccc1.C(=O)(C(=O)[O-])O
• Canonical SMILES: C[N+](=C1C=C/C(=C(/c2ccc(cc2)N(C)C)\c2ccccc2)/C=C1)C.[O-]C(=O)C(=O)O
• InChI: InChI=1S/C23H25N2.C2H2O4/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)/q+1;/p-1
• InChIKey: REZFCYOVFCJTDG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[4-(dimethylamino)phenyl](phenyl)methylidene}-N,N-dimethylcyclohexa-2,5-dien-1-iminium hydrogen oxalate
• IUPAC Traditional name: malachite green hydrogen oxalate
• Synonyms: N,N,N′,N′-Tetramethyl-4,4′-diaminotriphenylcarbenium oxalate; Basic Green 4; Malachite Green oxalate salt; 孔雀石绿草酸盐; 碱性绿 4; 孔雀绿 草酸盐

Database IDs

• CAS Number: 2437-29-8
• EC Number: 219-441-7
• MDL Number: MFCD00151209
• Beilstein Number: 3644550
• PubChem SID: 24870123; 24897308; 24897123; 24859663; 162225141
• PubChem CID: 9888276
• Color Index Number: 42000

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.2445621
• LogD (pH = 7.4): 1.2868999
• Log P: 1.2874672
• Molar Refractivity: 131.5753 cm^3
• Polarizability: 41.071583 Å^3
• Polar Surface Area: 6.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: S. No.: 754 crystalline

Safety Information

• RTECS: BQ1190000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 63-22-41-50/53
• Safety Statements: 26-36/37-39-46-60-61
• GHS Pictograms: GHS05; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H318-H361d-H410; H302-H318-H361d-H410
• GHS Precautionary statements: P273-P280-P301 + P310-P305 + P351 + P338-P501; P273-P280-P305 + P351 + P338-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves; Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Grade: certified by the Biological Stain Commission; for microscopy; VETRANAL™, analytical standard
• Compostion: Dye content, ≥90%
• Suitability: suitable for histology
• Empirical Formula (Hill Notation): C23H25N2 · C2HO4 · 0.5C2H2O4

DETAILS

Sigma Aldrich - M9015

包装
25, 100 g in glass bottle
Suitability
Certified for use as a counterstain for paraffin embedded botanical material; as a spore stain for bacteria by the method of Schaeffer and Fulton.

Sigma Aldrich - 46396

Legal Information
VETRANAL is a trademark of Sigma-Aldrich Co. LLC