Malachite Green Oxalate

Base Information

• Chemical Name: Malachite Green Oxalate
• CAS No.: 13425-25-7
• Deprecated CAS: 1313818-54-0,150854-09-4
• Molecular Formula: C₂HO₄*C₂₃H₂₅N₂
• Molecular Weight: 418.492
• European Community (EC) Number: 219-441-7,603-805-0
• UNII: GY1H9O33VU
• DSSTox Substance ID: DTXSID6025513
• Wikidata: Q27279349
• ChEMBL ID: CHEMBL1545634
• Mol file: 13425-25-7.mol

Synonyms:Malachite Green Oxalate;2437-29-8;Malachite Green oxalate salt;13425-25-7;UNII-GY1H9O33VU;GY1H9O33VU;DTXSID6025513;EINECS 219-441-7;Malachite Green, Oxalate;Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, ethanedioate, ethanedioate (2:2:1);DTXCID005513;CAS-2437-29-8;C.I. 4200;Malachite Green oxalate salt (C.I. 42000);[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;2-hydroxy-2-oxoacetate;oxalic acid;Bis (N-{4-[[4-(dimethylamino)phenyl](phenyl)methylene]cyclohexa-2,5-dien-1-ylidene}-N-methylmethanaminium) trioxalate;Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, ethanedioate (2:2:1);Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, ethanedioate (2:2:1);Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, ethanedioate, ethanedioate (2:2:1);MFCD00011766;Oxalate Vert Malachite;NCGC00091944-01;Oxalato Verde Malaquita;Ossalato Verde Malachite;Ammonium, (4-(p-(dimethylamino)-alpha-phenylbenzylidene)-2,5-cyclohexadien-1-ylidene)-dimethyl-, oxalate (2:1), oxalate (1:1);Bis((4-(4-(dimethylamino)benzhydrylidene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium) oxalate, dioxalate;Bis[[4-[4-(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium] oxalate, dioxalate;Oxalato de verde malaquita;C. I. BASIC GREEN;CHEMBL1545634;AMY22393;Tox21_110008;Tox21_202521;AKOS015910564;Tox21_110008_1;NCGC00013058-01;NCGC00013058-02;NCGC00091944-02;NCGC00091944-03;NCGC00260070-01;MALACHITE GREEN OXALATE SALT [MI];C23H25N2.1/2C2H2O4.C2HO4;FT-0628110;M0497;H11046;C46-H50-N4.C2-H2-O4.2C2-H-O4;Malachite green oxalate 100 microg/mL in Acetonitrile;Malachite Green oxalate, SAJ first grade, >=80.0%;Q27279349;AMMONIUM, (4-(P-(DIMETHYLAMINO)-.ALPHA.-PHENYLBENZYLIDENE)-2,5-CYCLOHEXADIEN-1-YLIDENE)DIMETHYL-, OXALATE (1:1), OXALATE (1:1);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, ethanedioate (2:2:1);Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, ethanedioate, ethanedioate (2:1:2);N-[4-[[4-(Dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-methanaminium, ethanedioate, ethanedioate(2:2:1)

Chemical Property of Malachite Green Oxalate

Chemical Property:

• Melting Point: 164oC
• PSA: 241.96000
• LogP: 3.58460
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 926.37382317
• Heavy Atom Count: 68
• Complexity: 666

Purity/Quality:

98%Min ^*data from raw suppliers

Oxalate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): N-Xn,Xn
• Hazard Codes: N-Xn,Xn
• Statements: 63-50/53-41-22-40-36/37/38-20/21/22
• Safety Statements: 61-60-46-39-36/37-26-2-36-22

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Dyes -> Di- and Triaryl Dyes
• Canonical SMILES: 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
• Uses: A labelled triphenylmethane dye with fungicidal and limited antiseptic activity. The term Malachine green applies to the oxalate as well as the chloride. Harmful if swallowed. Avoid release to the environment. Malachite Green is a triphenylmethane dye.