Basic information
- CAS
201138-71-8- Standard SMILES
O=C(C1=CC=CC1C(=O)c1ccccc1)c1ccccc1- InChIKey
RWBSARGBEDGWIH-UHFFFAOYSA-N- Molecular formula
- C19H14O2
- Average molar mass
- 274.3 g/mol
- Monoisotopic mass
- 274.09937969
Names & identifiers
- Preferred name
- 1,5-Dibenzoyl-1,3-cyclopentadiene
- IUPAC
- (2-benzoylcyclopenta-2,4-dien-1-yl)-phenylmethanone
Names & synonyms
1,5-DIBENZOYL-1,3-CYCLOPENTADIENE201138-71-8RefChem:417186633-821-3Cyclopenta-2,4-diene-1,2-diylbis(phenylmethanone)SCHEMBL13985151AKOS024322227
Database identifiers
- CAS
201138-71-8- PubChem CID
- 4068554
- EC Number
- 633-821-3
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 460
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P391, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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