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13425-25-7

Basic Information
CAS No.: 13425-25-7
Name: MALACHITE GREEN OXALATE
Molecular Structure:
Molecular Structure of 13425-25-7 (MALACHITE GREEN OXALATE)
Formula: 2(C23H25N2).2(C2HO4).C2H2O4
Molecular Weight: 418.492
Synonyms: Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, ethanedioate (1:1) (9CI);Ethanedioic acid, ion(1-), N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methylmethanaminium (9CI);C.I. Basic Green 4, oxalate (1:1);
EINECS: 219-441-7
Melting Point: 164oC
Hazard Symbols: N-Xn,Xn
Risk Codes: 63-50/53-41-22-40-36/37/38-20/21/22
Safety: 61-60-46-39-36/37-26-2-36-22
PSA: 241.96000
LogP: 3.58460
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Specification

The Malachite Green oxalate is an organic compound with the formula 2(C23H25N2).2(C2HO4).C2H2O4. The IUPAC name of this chemical is [4-[(4-dimethylaminophenyl)-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium; 2-hydroxy-2-oxoacetate; oxalic acid. With the CAS registry number 13425-25-7, it is also named as Malachite green oxalate salt.

Physical properties about Malachite Green oxalate are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 3; (3)Polar Surface Area: 6.25 Å2.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. If swallowed, seek medical advice immediately and show this container or label. It is risk of serious damage to eyes and very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)C(=O)O.[O-]C(=O)C(=O)O.O=C(O)C(=O)O.C(=C1/C=C\C(=[N+](/C)C)\C=C1)(\c2ccccc2)c3ccc(N(C)C)cc3.N(c1ccc(cc1)C(\c2ccccc2)=C\3/C=C\C(=[N+](\C)C)/C=C/3)(C)C
(2)InChI: InChI=1/2C23H25N2.3C2H2O4/c2*1-24(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*3-1(4)2(5)6/h2*5-17H,1-4H3;3*(H,3,4)(H,5,6)/q2*+1;;;/p-2
(3)InChIKey: CNYGFPPAGUCRIC-NUQVWONBAS
(4)Std. InChI: InChI=1S/2C23H25N2.3C2H2O4/c2*1-24(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*3-1(4)2(5)6/h2*5-17H,1-4H3;3*(H,3,4)(H,5,6)/q2*+1;;;/p-2
(5)Std. InChIKey: CNYGFPPAGUCRIC-UHFFFAOYSA-L