2-(2-(4-((2-Chloroethyl)ethylamino)-o-tolyl)vinyl)-1,3,3-trimethyl-3H-indolium chloride
Basic information
- CAS
6441-82-3- Standard SMILES
CCN(CCCl)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(C)c1.[Cl-]- InChIKey
JQZWHMOVSQRYRN-UHFFFAOYSA-M- Molecular formula
- C24H30ClN2.Cl
- Average molar mass
- 417.4 g/mol
- Monoisotopic mass
- 416.1786044
Names & identifiers
- Preferred name
- 2-(2-(4-((2-Chloroethyl)ethylamino)-o-tolyl)vinyl)-1,3,3-trimethyl-3H-indolium chloride
- IUPAC
- N-(2-chloroethyl)-N-ethyl-3-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline chloride
- English name
- ASTRAZON RED 6B
- Molecular formula
- C24H30Cl2N2
- Molecular weight
- 417.42
Names & synonyms
Basic violet 73H-Indolium, 2-(2-(4-((2-chloroethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, chloride3H-Indolium, 2-[2-[4-[(2-chloroethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, chlorideDTXSID908843112-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride3H-Indolium, 2-(2-(4-((2-chloroethyl)ethylamino)-2-methylphenyl)ethenyl)-1,3,3-trimethyl-, chloride (1:1)3H-Indolium, 2-[2-[4-[(2-chloroethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1)RefChem:4528122-(2-(4-((2-Chloroethyl)ethylamino)-o-tolyl)vinyl)-1,3,3-trimethyl-3H-indolium chlorideDTXCID701023761229-227-53H-Indolium, 2-2-4-(2-chloroethyl)ethylamino-2-methylphenylethenyl-1,3,3-trimethyl-, chloride
Show more names
C.I.48020basicviolet7Orlamar Red 6BCatacryl Red 6BTriacryl Red 6B.Rifa Cationic Red 6BAstrazon red 6B 200%Apollo Cationic Red 6B
682-579-5Astrazon Red 6B6441-82-3Genacryl Red 6BSumiacryl Red 6BRed Astrazone 66Stenacrile Brilliant Red 6BAizen Cathilon Red 6B
Properties
Computed structural properties
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 565
Experimental & physicochemical properties
Physical DescriptionWet Solid
Physicochemical properties
- Boiling point
- 628.51 ℃[at · 628.51℃[at 101 325 Pa]
- Density
- 0.97 · 0.97[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Colour Index
- 48020 · 48020
- form
- powder to crystaline
- color
- Dark red to Dark purple to Dark blue
- Water Solubility
- 12.59 mg/L · 12.59mg/L at 25℃
- LogP
- 2.667 · 2.667
- CAS DataBase Reference
- 6441 · 6441-82-3
- EPA Substance Registry System
- 2 · 2-[2-[4-[(2-Chloroethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-3H-indolium chloride (6441-82-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 412 · H412
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 74.1% (40 of 54) of all reports.
Danger
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 54 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Hazard information
Regulatory Information
Chemical: 3H-Indolium, 2-[2-[4-[(2-chloroethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, chloride
3H-Indolium, 2-[2-[4-[(2-chloroethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3H-Indolium, 2-[2-[4-[(2-chloroethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2-[2-[4-[(2-chloroethyl)ethylamino]-o-tolyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride (EC: 229-227-5)
3H-Indolium, 2-2-4-(2-chloroethyl)ethylamino-2-methylphenylethenyl-1,3,3-trimethyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute Tox. 4 (16.7%)
Not Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
U.S. Production2022: 46,700 lb
Consumer UsesNot Known or Reasonably Ascertainable
General Manufacturing Information3H-Indolium, 2-[2-[4-[(2-chloroethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1): ACTIVE
Applications
UsesASTRAZON RED 6B is suitable for direct printing on acrylic and acrylic fabrics, and also for direct printing on diacetate and diacetate fabrics. It produces a purplish-red color with a bright, fluorescent hue. It can also be blended with Cationic Yellow 4G to dye a deep red.
Preparation methods
Preparation1,3,3-Trimethyl-2-methyleneindolineand 4-((2-Chloroethyl)(ethyl)amino)-2-methylbenzaldehydecondensation, and then into chloride.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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