2-Phenyl-3H-naphtho(2,1-b)pyran-3-one
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Basic information
- CAS
13759-56-3- Standard SMILES
O=c1oc2ccc3ccccc3c2cc1-c1ccccc1- InChIKey
PQXCUIMAWFHKHE-UHFFFAOYSA-N- Molecular formula
- C19H12O2
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.08372962
Names & identifiers
- Preferred name
- 2-Phenyl-3H-naphtho(2,1-b)pyran-3-one
- IUPAC
- 2-phenylbenzo[f]chromen-3-one
- English name
- 3-phenyl-5,6-benzocoumarin
- Molecular formula
- C19H12O2
- Molecular weight
- 272.3
Names & synonyms
13759-56-33-Phenyl-5,6-benzocoumarin2-Phenyl-3H-naphtho(2,1-b)pyran-3-one2-Phenyl-3H-naphtho[2,1-b]pyran-3-one3H-Naphtho(2,1-b)pyran-3-one, 2-phenyl-DTXSID70160241RefChem:95318DTXCID50827322-phenylbenzo[f]chromen-3-one2-phenyl-3H-benzo[f]chromen-3-oneBelofor OMBRN 0210672
Show more names
2-PHENYL-BENZO(F)CHROMEN-3-ONE3H-Naphtho[2,1-b]pyran-3-one, 2-phenyl-
1-Naphthaleneacrylic acid, 2-hydroxy-alpha-phenyl-, delta-lactoneSCHEMBL4379904STL304628AKOS000629594NCGC00338741-01CS-0337524ST50000961AB01331002-02
Database identifiers
- CAS
13759-56-3- PubChem CID
- 160984
- DTXSID
DTXSID70160241- EC Number
- 688-663-8
- Nikkaji
- J3.700.286K
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Physicochemical properties
- Melting point
- 181 · 181-182 °C
- Boiling point
- 495.6 · 495.6±24.0 °C(Predicted)
- Density
- 1.276 · 1.276±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H413
- 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, P273, P301+P317, P330, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H413
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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