1H-Indolium, 1-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-2-methyl-, chloride (1:1)
Basic information
- CAS
6359-50-8- Standard SMILES
CC1Cc2ccccc2[N+]1=CC=C1N(C)c2ccccc2C1(C)C.[Cl-]- InChIKey
DSZCWNRVMXBILR-UHFFFAOYSA-M- Molecular formula
- C22H25N2.Cl
- Average molar mass
- 352.9 g/mol
- Monoisotopic mass
- 352.1706265
Overview
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Names & identifiers
- Preferred name
- 1H-Indolium, 1-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-2-methyl-, chloride (1:1)
- IUPAC
- 1,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]indole chloride
- English name
- Basic Yellow 21
- Molecular formula
- C22H25N2.Cl
- Molecular weight
- 352.9
Names & synonyms
Basic Yellow 21EINECS 228-800-72-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chlorideRefChem:4387792-(2-(2,3-Dihydro-2-methyl-1H-indol-1-yl)vinyl)-1,3,3-trimethyl-3H-indolium chloride2-(2-(2,3-Dihydro-2-methyl-1H-indole-1-yl)ethenyl)-1,3,3-trimethyl-3H-indolium, chloride1H-Indolium, 1-(2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene)-2,3-dihydro-2-methyl-, chloride (1:1)1H-Indolium, 1-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-2-methyl-, chloride (1:1)228-800-76359-50-81,3,3-trimethyl-2-[2-(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)ethylidene]indole;chlorideC.I.Basic Yellow 21
Show more names
Yellow 7GLLYoracryl Yellow 7G.Triacryl Yellow 7GLOrlamar Yellow 7GLLCationic Yellow 7GLLHispacril Yellow 7GLLKayacryl Yellow 7GL-EDC.I.Basic Yellow 21:C.I.48060Basic Yellow 21 ISO 9001：2015 REACHAizen Cathilon Brilliant Yellow 7GLH
Basic Yellow 2112270-31-4C.I. Basic yellow 21SCHEMBL9574857SCHEMBL29465114DTXSID80884269DSZCWNRVMXBILR-UHFFFAOYSA-M1H-Indolium, 1-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-2-methyl-, chloride
Database identifiers
- CAS
6359-50-8- PubChem CID
- 111196
- DTXSID
DTXSID80884269- EC Number
- 228-800-7
Properties
Computed structural properties
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 544
Physicochemical properties
- Density
- 1.16 · 1.16[at 20℃]
- Water Solubility
- 21 g/L · 21g/L at 20℃
- LogP
- 1 at · 1 at 25℃
- EPA Substance Registry System
- 1 H-Indolium, · 1H-Indolium, 1-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-2-methyl-, chloride (6359-50-8)
- Symbol(GHS)
- 9 · GHS09,GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H410-H400-H318
- Precautionary statements
- 273 · P273-P391-P501-P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 25.9% (15 of 58) of reports.
Danger
H301 (74.1%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1H-Indolium, 1-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-2-methyl-, chloride (1:1)
REACH registered substance: 2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium chloride (EC: 228-800-7)
Hazard Classes and CategoriesAcute Tox. 3 (74.1%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS09,GHS05,GHS06
- Hazard statements
- H301-H410-H400-H318
- REACH Registrations
- Active
- Precautionary statements
- P273-P391-P501-P273-P391-P501-P264-P270-P301+P310-P321-P330-P405-P501-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indolium, 1-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-2-methyl-, chloride (1:1): ACTIVE
Preparation methods
Preparation2-(1,3,3-Trimethylindolin-2-yl)acetaldehyde And 2-Methyl-2H-indazolein the presence of phosphorus oxychloride of condensation, and then quaternized..
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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