3-Bromo-5-(diphenylmethylene)furan-2(5H)-one
Basic information
- CAS
195390-04-6- Standard SMILES
O=C1OC(=C(c2ccccc2)c2ccccc2)C=C1Br- InChIKey
OEFNJXJOGNUEKG-UHFFFAOYSA-N- Molecular formula
- C17H11BrO2
- Average molar mass
- 327.2 g/mol
- Monoisotopic mass
- 325.99424
Names & identifiers
- Preferred name
- 3-Bromo-5-(diphenylmethylene)furan-2(5H)-one
- IUPAC
- 5-benzhydrylidene-3-bromofuran-2-one
- English name
- 3-Bromo-5-(diphenylmethylene)-2(5H)-furanone
- Molecular formula
- C17H11BrO2
- Molecular weight
- 327.17
Names & synonyms
3-Bromo-5-(diphenylmethylene)furan-2(5H)-one195390-04-6CHEMBL5413400AKOS0243384603-BROMO-5-(DIPHENYLMETHYLENE)-2(5H)-FURANONE2(5H)-Furanone, 3-bromo-5-(diphenylmethylene)-
Database identifiers
- CAS
195390-04-6- PubChem CID
- 4356689
- ChEMBL
CHEMBL5413400- EC Number
- 113-784-5
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 418
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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