Basic information
- CAS
27242-80-4- Standard SMILES
O=C(/C=C/c1ccc(/C=C/C(=O)c2ccco2)cc1)c1ccco1- InChIKey
NZUQBRSPJPOUOM-WGDLNXRISA-N- Molecular formula
- C20H14O4
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 318.08920892
Names & identifiers
- Preferred name
- 3,3'-(1,4-Phenylene)bis(1-(2-furyl)-2-propen-1-one)
- IUPAC
- (E)-1-(furan-2-yl)-3-[4-[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
- English name
- 3,3'-(1,4-Phenylene)bis(1-(2-furyl)-2-propen-1-one)
- Molecular formula
- C20H14O4
- Molecular weight
- 318.32
Names & synonyms
27242-80-43,3'-(1,4-PHENYLENE)BIS(1-(2-FURYL)-2-PROPEN-1-ONE)RefChem:484892667-525-03,3'-(1,4-Phenylene)bis(1-(furan-2-yl)prop-2-en-1-one)AKOS0243343442-Propen-1-one, 3,3'-(1,4-phenylene)bis[1-(2-furanyl)-
Database identifiers
- CAS
27242-80-4- PubChem CID
- 6080596
- EC Number
- 667-525-0
- Nikkaji
- J425.936J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- 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
Chemistry & industry
Suppliers1 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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