Basic information
- CAS
1324-50-1- Standard SMILES
CCOc1cc(Nc2ccc(C)cc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc1C(=C1C=CC(=[N+](C)C)C=C1)c1ccc(N(C)C)cc1.[Na+]- InChIKey
WQZNLMYQHGWSHK-UHFFFAOYSA-M- Molecular formula
- C32H34N3NaO7S2
- Average molar mass
- 659.8 g/mol
- Monoisotopic mass
- 659.17358671
Names & identifiers
- Preferred name
- hydrogen (4-((4-(dimethylamino)phenyl)(2-ethoxy-5-sulphonato-4-(sulphonato-p-toluidino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, monosodium salt
- IUPAC
- sodium 5-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-ethoxy-2-(4-methyl-2-sulfonatoanilino)benzenesulfonate
- English name
- ACID VIOLET 6BN
- Molecular formula
- C32H34N3NaO7S2
- Molecular weight
- 659.75
Names & synonyms
Hydrogen (4-((4-(dimethylamino)phenyl)(2-ethoxy-5-sulphonato-4-(sulphonato-p-toluidino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium, monosodium saltMethanaminium, N-(4-((4-(dimethylamino)phenyl)(2-ethoxy-4-((4-methylsulfophenyl)amino)-5-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, inner salt, sodium salt (1:1)Hydrogen [4-[[4-(dimethylamino)phenyl][2-ethoxy-5-sulphonato-4-(sulphonato-p-toluidino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium, monosodium saltMethanaminium, N-[4-[[4-(dimethylamino)phenyl][2-ethoxy-4-[(4-methylsulfophenyl)amino]-5-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, inner salt, sodium salt (1:1)RefChem:789047215-376-3C.I. Acid Violet 151324-50-1sodium;5-[[4-(dimethylamino)phenyl]-(4-dimethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-ethoxy-2-(4-methyl-2-sulfonatoanilino)benzenesulfonateC.I. Acid Violet 15, monosodium saltMethanaminium,N-[4-[[4-(dimethylamino)phenyl][2-ethoxy-4-[(4-methylsulfophenyl)amino]-5-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-,inner salt, sodium salt (1:1)
Properties
Computed structural properties
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,260
Physicochemical properties
- EPA Substance Registry System
- 15 · C.I. Acid Violet 15 (1324-50-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationMethanaminium, N-[4-[[4-(dimethylamino)phenyl][2-ethoxy-4-[(4-methylsulfophenyl)amino]-5-sulfophenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, inner salt, sodium salt (1:1): ACTIVE
Preparation methods
PreparationBis(4-(dimethylamino)phenyl)methanone and N-p-tolyl-m-phenetidineand phosphorus oxychloride, and then converted to the sodium salt disulfonated.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
广州市海珠区正鸿商行020-82550624 13016020539 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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