Basic information
- CAS
6219-97-2- Standard SMILES
O=C(Nc1cc2c(=O)c3ccc(C(F)(F)F)cc3[nH]c2c2c1C(=O)c1ccccc1C2=O)c1ccccc1- InChIKey
JFNJYBPWYDSPLH-UHFFFAOYSA-N- Molecular formula
- C29H15F3N2O4
- Average molar mass
- 512.4 g/mol
- Monoisotopic mass
- 512.09839145
Names & identifiers
- Preferred name
- N-[5,8,13,14-tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth[2,3-c]acridin-6-yl]benzamide
- IUPAC
- N-[5,8,14-trioxo-11-(trifluoromethyl)-13H-naphtho[2,3-c]acridin-6-yl]benzamide
- English name
- N-[5,8,13,14-tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth[2,3-c]acridin-6-yl]benzamide
- Molecular formula
- C29H15F3N2O4
- Molecular weight
- 512.4356096
Names & synonyms
Benzamide, N-[5,8,13,14-tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth[2,3-c]acridin-6-yl]-Benzamide, N-(5,8,13,14-tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth(2,3-c)acridin-6-yl)-N-[5,8,13,14-tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth[2,3-c]acridin-6-yl]benzamideN-(5,8,13,14-Tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth(2,3-c)acridin-6-yl)benzamideRefChem:827912228-295-36219-97-2N-[5,8,14-trioxo-11-(trifluoromethyl)-13H-naphtho[2,3-c]acridin-6-yl]benzamideC.I. Vat Blue 21EINECS 228-295-3C.I. 67920n-[5,8,14-trioxo-11-(trifluoromethyl)-5,8,13,14-tetrahydronaphtho[2,3-c]acridin-6-yl]benzamide
Show more names
C.I.67920Vat Blue 21C.I.VATBLUE21Vat blue 21 (C.I. 67920)C.I.Vat Blue 21:C.I.67920
DTXSID50884236JFNJYBPWYDSPLH-UHFFFAOYSA-NNS00043643
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 993
Physicochemical properties
- Boiling point
- 647.5 · 647.5±55.0 °C(Predicted)
- Density
- 1.504 · 1.504±0.06 g/cm3(Predicted)
- pka
- 11.56 · 11.56±0.20(Predicted)
- EPA Substance Registry System
- 5 · Benzamide, N-[5,8,13,14-tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth[2,3-c]acridin-6-yl]- (6219-97-2)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, N-[5,8,13,14-tetrahydro-5,8,14-trioxo-11-(trifluoromethyl)naphth[2,3-c]acridin-6-yl]-: INACTIVE
Preparation methods
Preparation1-Amino-4-bromo-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid and 2-Amino-4-(trifluoromethyl)benzoic acidcondensation, cyclization and, at the same time, remove sulfonic group, then benzoylation.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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