Basic information
- CAS
6409-44-5- Standard SMILES
O=C1c2ccccc2-c2ccc(Cl)c3cccc1c23- InChIKey
QLCFFBOGHZDLGO-UHFFFAOYSA-N- Molecular formula
- C17H9ClO
- Average molar mass
- 264.7 g/mol
- Monoisotopic mass
- 264.03419259
Names & identifiers
- Preferred name
- 3-Chlorobenzanthrone
- IUPAC
- 3-chlorobenzo[b]phenalen-7-one
- English name
- 3-chlorobenzanthrone
- Molecular formula
- C17H9ClO
- Molecular weight
- 264.71
Names & synonyms
3-Chlorobenzanthrone7H-Benz[de]anthracen-7-one, 3-chloro-YCP5RJF3B73-Chloro-7H-benzo(de)anthracen-7-one3-Chloro-7H-benzo[de]anthracen-7-one7H-Benz(de)anthracen-7-one, 3-chloro-3-CHLORO-BENZO(DE)ANTHRACEN-7-ONEDTXSID1064324RefChem:93505DTXCID20442103-chlorobenzo[b]phenalen-7-one6409-44-5
Show more names
3-Chloro-7H-benz[de]anthracen-7-oneEINECS 229-082-8UNII-YCP5RJF3B7AKOS0023843767H-Benz[de]anthracene-7-one, 3-chloro-NS00035638
Database identifiers
- CAS
6409-44-5- PubChem CID
- 72866
- DTXSID
DTXSID1064324- UNII
- YCP5RJF3B7
- EC Number
- 229-082-8
- Nikkaji
- J207.017K
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 379
Physicochemical properties
- FDA UNII
- 5 RJF3B7 · YCP5RJF3B7
- EPA Substance Registry System
- 7 H-Benz[de]anthracen-7-one, · 7H-Benz[de]anthracen-7-one, 3-chloro- (6409-44-5)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information7H-Benz[de]anthracen-7-one, 3-chloro-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
1 records
Compound notes
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