3-Methoxy-7H-benz(de)anthracen-7-one
Basic information
- CAS
3688-79-7- Standard SMILES
COc1ccc2c3c(cccc13)C(=O)c1ccccc1-2- InChIKey
BGQDCDRDPCVLJE-UHFFFAOYSA-N- Molecular formula
- C18H12O2
- Average molar mass
- 260.3 g/mol
- Monoisotopic mass
- 260.08372962
Names & identifiers
- Preferred name
- 3-Methoxy-7H-benz(de)anthracen-7-one
- IUPAC
- 3-methoxybenzo[b]phenalen-7-one
- English name
- 3-methoxy-7H-benz[de]anthracen-7-one
- Molecular formula
- C18H12O2
- Molecular weight
- 260.29
Names & synonyms
3-MethoxybenzanthroneAcetate Yellow 6GDisperse Yellow 6Z3688-79-77H-Benz[de]anthracen-7-one, 3-methoxy-7H-Benz(de)anthracen-7-one, 3-methoxy-C.I. 58900E1TV38VZ4C3-Methoxy-7H-benz(de)anthracen-7-one3-Methoxy-7H-benz[de]anthracen-7-oneDTXSID7063136RefChem:94625
Show more names
C.I.58900Brn 2055284DISPERSEYELLOW13C.I.Disperse Yellow 13C.I.Disperse Yellow 13:C.I.58900
DTXCID3039248222-992-6Disperse Yellow 133-methoxy-7H-benzo[de]anthracen-7-one3-methoxybenzo[b]phenalen-7-oneDuranol Brilliant Yellow GDuranol Brilliant Yellow 6GCelliton Brilliant Yellow 8G
Database identifiers
- CAS
3688-79-7- PubChem CID
- 77267
- DTXSID
DTXSID7063136- UNII
- E1TV38VZ4C
- EC Number
- 222-992-6
- Nikkaji
- J34.102I
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Physicochemical properties
- Boiling point
- 363.55 °C · 363.55°C (rough estimate)
- Density
- 1.1342 · 1.1342 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 1 TV38VZ4C · E1TV38VZ4C
- EPA Substance Registry System
- 7 H-Benz[de]anthracen-7-one, · 7H-Benz[de]anthracen-7-one, 3-methoxy- (3688-79-7)
- 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.
Hazard information
Regulatory InformationChemical: 7H-Benz[de]anthracen-7-one, 3-methoxy-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7H-Benz[de]anthracen-7-one, 3-methoxy-: INACTIVE
Preparation methods
Preparation3-Bromo-6aH-benzo[de]anthracen-7(8H)-one with methanol in methanol testosterone sodium solution for processing
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…