6-Amino-10,12-dichloronaphth[2,3-c]acridine-5,8,14(13H)-trione
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Basic information
- CAS
4215-99-0- Standard SMILES
Nc1cc2c(=O)c3cc(Cl)cc(Cl)c3[nH]c2c2c1C(=O)c1ccccc1C2=O- InChIKey
MYGRGVSSKMUCSX-UHFFFAOYSA-N- Molecular formula
- C21H10Cl2N2O3
- Average molar mass
- 409.2 g/mol
- Monoisotopic mass
- 408.0068476
Names & identifiers
- Preferred name
- 6-Amino-10,12-dichloronaphth[2,3-c]acridine-5,8,14(13H)-trione
- IUPAC
- 6-amino-10,12-dichloro-13H-naphtho[2,3-c]acridine-5,8,14-trione
- English name
- 6-amino-10,12-dichloronaphth[2,3-c]acridine-5,8,14(13H)-trione
- Molecular formula
- C21H10Cl2N2O3
- Molecular weight
- 409.22
Names & synonyms
4215-99-06-Amino-10,12-dichloronaphth(2,3-c)acridine-5,8,14(13H)-trione6-amino-10,12-dichloronaphth[2,3-c]acridine-5,8,14(13H)-trioneEINECS 224-149-8NSC 299136DTXSID10194984RefChem:104168DTXCID50117475224-149-8Indanthren Turquoise Blue 3GKC.I. Vat Blue 336-amino-10,12-dichloro-13H-naphtho[2,3-c]acridine-5,8,14-trione
Show more names
C.I.67915Vat Blue 33C.I.Vat Blue 33Vat blue 33 (C.I. 67915)C.I.Vat Blue 33:C.I.67915Naphth[2,3-c]acridine-5,8,14(13H)-trione, 6-amino-10,12-dichloro-
C.I. 679156-amino-10,12-dichloronaphtho[2,3-c]acridine-5,8,14(13h)-trioneNSC299136NSC-2991369GQM4HVG96Palanthrene Turquoise Blue 3GKMYGRGVSSKMUCSX-UHFFFAOYSA-NCCG-2621
Database identifiers
- CAS
4215-99-0- PubChem CID
- 72845
- DTXSID
DTXSID10194984- UNII
- 9GQM4HVG96
- EC Number
- 224-149-8
- Nikkaji
- J68.198I
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 716
Physicochemical properties
- Boiling point
- 715.1 · 715.1±60.0 °C(Predicted)
- Density
- 1.608 · 1.608±0.06 g/cm3(Predicted)
- pka
- -1.32 · -1.32±0.20(Predicted)
Chemistry & industry
Preparation methods
Preparation(a) C.I. Vat Violet 14 (C.I. 67895) with 4-Methylbenzenesulfonamidesulfonamide and hydrolyzed; (b) 1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid with 3-Amino-4-chlorobenzoic acid and 3,5-Dichloroanthranilic acid mixture processing, then remove sulfonic group and cyclization.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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