Basic information
- CAS
1564-53-0- Standard SMILES
O=C(c1ccccc1)c1c2ccccc2cc2ccccc12- InChIKey
YBIBFEHHOULQKH-UHFFFAOYSA-N- Molecular formula
- C21H14O
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.10446507
Names & identifiers
- Preferred name
- 9-Benzoylanthracene
- IUPAC
- anthracen-9-yl(phenyl)methanone
- English name
- Phenyl(9-anthryl) ketone
- Molecular formula
- C21H14O
- Molecular weight
- 282.34
Names & synonyms
9-BenzoylanthraceneRefChem:549205633-873-7anthracen-9-yl(phenyl)methanone1564-53-0Ketone, 9-anthracenyl phenylMethanone, 9-anthracenylphenyl-Phenyl(9-anthryl) ketone9-Anthracenyl phenyl ketoneBRN 2053489BIDD:GT0389(ANTHRACEN-9-YL)(PHENYL)METHANONE
Show more names
9-Anthryl(phenyl)methanone4-07-00-01884 (Beilstein Handbook Reference)9-Anthryl(phenyl)methanone #SCHEMBL212463SCHEMBL31177917DTXSID10166080YBIBFEHHOULQKH-UHFFFAOYSA-NNSC97593
Database identifiers
- CAS
1564-53-0- PubChem CID
- 97037
- DTXSID
DTXSID10166080- EC Number
- 633-873-7
- Nikkaji
- J80.233F
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Melting point
- 148 °C · 148 °C
- Boiling point
- 384.95 °C · 384.95°C (rough estimate)
- Density
- 1.0771 · 1.0771 (rough estimate)
- refractive index
- 1.488 · 1.4880 (estimate)
- form
- A liquid
- Hazard statements
- 413 · H413
- Toxicity
- 50 ipr-mus: · LD50 ipr-mus: >2 g/kg PCJOAU 19,326,85
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Toxicity
- LD50 ipr-mus: >2 g/kg PCJOAU 19,326,85
- Hazard statements
- H413
Chemistry & industry
Suppliers2 total
吉林中科研伸科技有限公司18143011203 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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