Basic information
- Standard SMILES
CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1- InChIKey
VFCNQNZNPKRXIT-UHFFFAOYSA-N- Molecular formula
- C23H25N2+
- Average molar mass
- 329.5 g/mol
- Monoisotopic mass
- 329.20122522
Overview
Malachite green cation is an iminium ion obtained by dimethylation of the imino group of 4-{[4-(dimethylamino)phenyl](phenyl)methylene}cyclohexa-2,5-dien-1-imine. Used in the form of its chloride salt as a green-coloured dye. It has a role as an antibacterial drug, a fluorochrome and an antifungal drug.
Names & identifiers
- Preferred name
- Malachite green cation
- IUPAC
- [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
- English name
- Magentagreencrystals
- Molecular formula
- C23H25N2+
- Molecular weight
- 329.47
Names & synonyms
Show more names
Database identifiers
- CAS
10309-95-2、14426-28-9、18015-76-4- PubChem CID
- 11295
- DTXSID
DTXSID3043784- ChEMBL
CHEMBL1181633- ChEBI
CHEBI:44107- UNII
- AWT9R95TV1
- EC Number
- 686-173-9
- Nikkaji
- J1.858I、J366.497J
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 516
Experimental & physicochemical properties
Collision Cross Section
188.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID1025512]
190.05 Ų [M+H]+
Physicochemical properties
- Symbol(GHS)
- 8 · GHS08,GHS07,GHS05,GHS09
- Signal word
- Danger
- Hazard statements
- 314 · H314-H410-H302
- Precautionary statements
- 273 · P273-P391-P501-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07,GHS05,GHS09
- Hazard statements
- H314-H410-H302
- Precautionary statements
- P273-P391-P501-P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
Applications
UsesMagentagreencrystals are used for dyeing acrylic fiber, silk, wool, diacetate fiber and cotton fiber. Dyeing acrylic fiber and diacetate fiber has better light fastness, and other fastness (soaping, perspiration, etc.) Good, the fastness of dyed wool, silk and cotton fibers is slightly worse. It can also dye leather, paper, hemp, bamboo, etc., and make lakes. The acrylic wool yarn is dyed with alkaline magenta to obtain a jet black color, and the fastness is improved. It is also the standard dye used abroad to determine the saturation value of acrylic fiber and the saturation factor of cationic dyes.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
Additional notes
DefinitionChEBI: Malachite green is an organic chloride salt that is the monochloride salt of malachite green cation. Used as a green-coloured dye, as a counter-stain in histology, and for its anti-fungal properties in aquaculture. It has a role as a fluorochrome, a histological dye, an antifungal drug, a carcinogenic agent, a teratogenic agent, an environmental contaminant and an antibacterial agent. It contains a malachite green cation.
Related reactions
No reaction records under the current filter.
Linked notes
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