3-Anthracen-9-YL-1-(4-(3-anthracen-9-YL-acryloyl)-phenyl)-propenone
Basic information
- CAS
26473-76-7- Standard SMILES
O=C(C=Cc1c2ccccc2cc2ccccc12)c1ccc(C(=O)C=Cc2c3ccccc3cc3ccccc23)cc1- InChIKey
VZFIUAFFXORRFQ-UHFFFAOYSA-N- Molecular formula
- C40H26O2
- Average molar mass
- 538.6 g/mol
- Monoisotopic mass
- 538.19328007
Names & identifiers
- Preferred name
- 3-Anthracen-9-YL-1-(4-(3-anthracen-9-YL-acryloyl)-phenyl)-propenone
- IUPAC
- 3-anthracen-9-yl-1-[4-(3-anthracen-9-ylprop-2-enoyl)phenyl]prop-2-en-1-one
- English name
- 2-Propen-1-one,1,1'-(1,4-phenylene)bis[3-(9-anthracenyl)-
- Molecular formula
- C40H26O2
- Molecular weight
- 538.63
Names & synonyms
3-ANTHRACEN-9-YL-1-(4-(3-ANTHRACEN-9-YL-ACRYLOYL)-PHENYL)-PROPENONERefChem:497826685-940-5DS-0136092-Propen-1-one,1,1-(1,4-phenylene)bis[3-(9-anthracenyl)-2-Propen-1-one,1,1'-(1,4-phenylene)bis[3-(9-anthracenyl)-
Database identifiers
- CAS
26473-76-7- PubChem CID
- 323150
- EC Number
- 685-940-5
Properties
Computed structural properties
- XLogP
- 10.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 875
Physicochemical properties
- Boiling point
- 813.817 · 813.817±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.262 · 1.262±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Hazard statements
- 413 · H413
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Safety data
- Hazard statements
- H413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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