3-Phenyl-1H-2-benzopyran-1-one
Basic information
- CAS
4809-08-9- Standard SMILES
O=c1oc(-c2ccccc2)cc2ccccc12- InChIKey
GDHDASZYFUIDMH-UHFFFAOYSA-N- Molecular formula
- C15H10O2
- Average molar mass
- 222.24 g/mol
- Monoisotopic mass
- 222.06807956
Names & identifiers
- Preferred name
- 3-Phenyl-1H-2-benzopyran-1-one
- IUPAC
- 3-phenylisochromen-1-one
- English name
- 3-PHENYL-1H-2-BENZOPYRAN-1-ONE
- Molecular formula
- C15H10O2
- Molecular weight
- 222.24
Names & synonyms
3-Phenyl-1H-2-benzopyran-1-oneRefChem:504836659-918-03-Phenyl-1H-isochromen-1-one4809-08-93-phenylisochromen-1-one3-phenylisocoumarinCHEMBL2140153F3159-0080NSC3384563-phenyl-isochromen-1-oneMLS002391816
Show more names
1H-2-Benzopyran-1-one, 3-phenyl-
SCHEMBL6827276DTXSID60319004GDHDASZYFUIDMH-UHFFFAOYSA-N3-Phenyl-1H-isochromen-1-one #SMSSF-06143131-Oxo-3-phenyl-1H-benzo(c)pyranBDBM50207306STK039160
Database identifiers
- CAS
4809-08-9- PubChem CID
- 334102
- DTXSID
DTXSID60319004- ChEMBL
CHEMBL2140153- EC Number
- 659-918-0
- Nikkaji
- J546.175H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
LogP3.84
Physicochemical properties
- Melting point
- 88 · 88-89 °C
- Boiling point
- 380.9 · 380.9±42.0 °C(Predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…