Basic information
- CAS
4657-89-0- Standard SMILES
O=C(c1ccccc1)c1ccc2c3c(cccc13)CC2- InChIKey
YQRRSORFUCNQAC-UHFFFAOYSA-N- Molecular formula
- C19H14O
- Average molar mass
- 258.3 g/mol
- Monoisotopic mass
- 258.10446507
Names & identifiers
- Preferred name
- (1,2-Dihydroacenaphthylen-5-yl)(phenyl)methanone
- IUPAC
- 1,2-dihydroacenaphthylen-5-yl(phenyl)methanone
- English name
- 5-Benzoylacenaphthene
- Molecular formula
- C19H14O
- Molecular weight
- 258.31
Names & synonyms
4657-89-01,2-dihydroacenaphthylen-5-yl(phenyl)methanone(1,2-dihydroacenaphthylen-5-yl)(phenyl)methanoneKetone, 5-acenaphthenyl phenylMFCD002217965-Benzoylacenaphtheneacenaphthen-5-yl phenyl ketoneF0020-1862Acenaphthen-5-yl-phenyl-methanone5-BenzoylacenaphthenAcenaphthene, 5-benzoyl-ChemDiv3_014228
Show more names
5-acenaphthenyl-phenylmethanoneMethanone, (1,2-dihydro-5-acenaphthylenyl)phenyl-
Methanone,(1,2-dihydro-5-acenaphthylenyl)phenyl-Oprea1_017163Oprea1_506609SCHEMBL7741128(5-acenaphthenyl)phenylmethanoneDTXSID00196876HMS1513G16SMSSF-0058972
Database identifiers
- CAS
4657-89-0- PubChem CID
- 145757
- DTXSID
DTXSID00196876- EC Number
- 105-170-0
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Melting point
- 100 °C · 100 °C
- Boiling point
- 120 · 120-140 °C(Press: 3 Torr)
- Density
- 1.212 · 1.212±0.06 g/cm3(Predicted)
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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