Basic information
- CAS
6371-38-6- Standard SMILES
O=C1C(c2[nH]c3c(Cl)cc(Cl)cc3c2O)=Nc2c(Cl)cc(Cl)cc21- InChIKey
ZMTSIOINQVCKKT-UHFFFAOYSA-N- Molecular formula
- C16H6Cl4N2O2
- Average molar mass
- 400 g/mol
- Monoisotopic mass
- 397.918338
Names & identifiers
- Preferred name
- 5,7-Dichloro-2-(5,7-dichloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one
- IUPAC
- 5,7-dichloro-2-(5,7-dichloro-3-hydroxy-1H-indol-2-yl)indol-3-one
- English name
- 5,7-dichloro-2-(5,7-dichloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one
- Molecular formula
- C16H6Cl4N2O2
- Molecular weight
- 400.04
Names & synonyms
6371-38-65,7-Dichloro-2-(5,7-dichloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-one5,7-dichloro-2-(5,7-dichloro-3-hydroxy-1H-indol-2-yl)indol-3-oneEINECS 228-896-0DXTHDCZZUUAMPV-UHFFFAOYSA-NZMTSIOINQVCKKT-UHFFFAOYSA-NDTXSID801118824NS000438625,7-Dichloro-2-(5,7-dichloro-3-oxo-1,3-dihydro-2H-indol-2-ylidene)-1,2-dihydro-3H-indol-3-oneC.I.73040Vat Blue 41C.I.Vat Blue 41
Show more names
C.I.Vat Blue 41:C.I.73040Δ2,2'-Bi[5,7-dichloroindoline-3-one]5,5',7,7'-Tetrachloro-Δ2,2'(3H,3'H)-bi[1H-indole]-3,3'-dione3H-Indol-3-one, 5,7-dichloro-2-(5,7-dichloro-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 574
Chemistry & industry
Preparation methods
Preparation(a)3,5-Dichloro-N-(carboxymethyl)anthranilic acid and Acetic anhydride reaction, with Sodium hydroxide product processing, then use air oxidation; (b) in Acetic anhydride and Sodium acetate trihydrate existence, 3H-indol-3-one,2-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro- in Acetic acid glacial chloride in four (FIAT 764). Commodity dyes for the three and tetrachloro indigo dye mixture.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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