Basic information
- CAS
2379-75-1- Standard SMILES
Cc1cc(Cl)c(C)c2c1SC(=C1Sc3c(C)cc(Cl)c(C)c3C1=O)C2=O- InChIKey
WNQYKPVIXDBBAO-UHFFFAOYSA-N- Molecular formula
- C20H14Cl2O2S2
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 419.9812274
Names & identifiers
- Preferred name
- Benzo(b)thiophen-3(2H)-one, 5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo(b)thien-2(3H)-ylidene)-4,7-dimethyl-
- IUPAC
- 5-chloro-2-(5-chloro-4,7-dimethyl-3-oxo-1-benzothiophen-2-ylidene)-4,7-dimethyl-1-benzothiophen-3-one
- English name
- Vat Voilet 3
- Molecular formula
- C20H14Cl2O2S2
- Molecular weight
- 421.36
Names & synonyms
2379-75-1DTXSID9062356Benzo[b]thiophen-3(2H)-one, 5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4,7-dimethyl-EINECS 219-164-1Benzo(b)thiophen-3(2H)-one, 5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo(b)thien-2(3H)-ylidene)-4,7-dimethyl-RefChem:326171DTXCID90369375,5'-Dichloro-4,4',7,7'-tetramethyl-3H,3'H-[2,2'-bibenzo[b]thiophenylidene]-3,3'-dioneVat Voilet 3SCHEMBL16323496SCHEMBL293566535-chloro-2-[(2E)-5-chloro-4,7-dimethyl-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]-4,7-dimethyl-2,3-dihydro-1-benzothiophen-3-one
Show more names
C.I. 73395vat violet 3C.I. Vat Violet 3Arlanon Magenta BPigment Violet 38Vat Red Violet RRNNavidon Magenta B.Vat Violet 3 (C.I.)Anthramar Magenta B
NS000207715-Chloro-2-(5-chloro-4,7-dimethyl-3-oxo-1-benzothiophen-2(3H)-ylidene)-4,7-dimethyl-1-benzothiophen-3(2H)-one
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 623
Physicochemical properties
- Boiling point
- 551.8 · 551.8±50.0 °C(Predicted)
- Density
- 1.499 · 1.499
- storage temp.
- 2 · 2-8°C
- EPA Substance Registry System
- -3 · Benzo[b]thiophen-3(2H)-one, 5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4,7-dimethyl- (2379-75-1)
- TSCA
- TSCA listed
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 100% (12 of 12) of all reports.
Not Classified
Aggregated GHS information provided per 12 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzo[b]thiophen-3(2H)-one, 5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4,7-dimethyl-
Hazard Traits - Bioaccumulation; Environmental Persistence
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzo[b]thiophen-3(2H)-one, 5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4,7-dimethyl-: ACTIVE
Applications
UsesVat Voilet 3 has similar performance characteristics to Vat Red Violet (RH) (CI73385) and is a light-brittle dye. It is mainly used for dyeing cotton fibers and printing on cotton fabrics, exhibiting good affinity and leveling properties. It also provides good leveling and affinity when used for dyeing silk. It is also suitable for dyeing wool, nylon, and vinylon. It can be blended with bromoindigo and vat brown (RRD) to dye black, and can also be blended with vat bright pink (R), orange (RF), and scarlet (GGN).
Preparation methods
Preparation2,5-Dimethyl-4-chlorophenylmercaptoacetic acid with Chlorosulfonic acid cyclization, oxidation. This intermediate is chlorinated using the sulfonyl chloride route xylene (BIOS) derived.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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