Basic information
- CAS
6486-13-1- Standard SMILES
CCC(C)N1CC(O)Cc2cc(N=Nc3c(Br)cc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)cc21- InChIKey
WKQQGPYUFIVSBR-UHFFFAOYSA-N- Molecular formula
- C20H22BrN5O5
- Average molar mass
- 492.3 g/mol
- Monoisotopic mass
- 491.08043
Names & identifiers
- Preferred name
- 6-[(2-bromo-4,6-dinitrophenyl)diazenyl]-1-butan-2-yl-7-methyl-3,4-dihydro-2H-quinolin-3-ol
- IUPAC
- 6-[(2-bromo-4,6-dinitrophenyl)diazenyl]-1-butan-2-yl-7-methyl-3,4-dihydro-2H-quinolin-3-ol
- English name
- 6-[(2-Bromo-4,6-dinitrophenyl)azo]-1,2,3,4-tetrahydro-7-methyl-1-(sec-butyl)-3-quinolinol
- Molecular formula
- C20H22BrN5O5
- Molecular weight
- 492.32
Names & synonyms
6486-13-1SCHEMBL30341332DTXSID8011128386-[(2-Bromo-4,6-dinitrophenyl)diazenyl]-1-(butan-2-yl)-7-methyl-1,2,3,4-tetrahydroquinolin-3-ol6-[2-(2-Bromo-4,6-dinitrophenyl)diazenyl]-1,2,3,4-tetrahydro-7-methyl-1-(1-methylpropyl)-3-quinolinolC.I.11410Disperse Violet 7C.I.Disperse Violet 7C.I.Disperse Violet 7:C.I.114106-[(2-Bromo-4,6-dinitrophenyl)azo]-1,2,3,4-tetrahydro-7-methyl-1-(sec-butyl)-3-quinolinol3-Quinolinol, 6-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-1,2,3,4-tetrahydro-7-methyl-1-(1-methylpropyl)-
Database identifiers
- CAS
6486-13-1- PubChem CID
- 71439331
- DTXSID
DTXSID801112838- EC Number
- 613-703-8
- Nikkaji
- J33.585A
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 686
Physicochemical properties
- Boiling point
- 677.3 · 677.3±55.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- 14.26 · 14.26±0.20(Predicted)
Chemistry & industry
Preparation methods
Preparation2,4-Dinitro-6-bromoaniline diazo, and 1-Sec-butyl-1,2,3,4-tetrahydro-3-hydroxy-7-methylquinolinecoupling.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…