Basic information
- CAS
2674-45-5- Standard SMILES
O=C1OC(c2ccccc2)(c2ccccc2)Cc2ccccc21- InChIKey
OXKYDSBSPQCICV-UHFFFAOYSA-N- Molecular formula
- C21H16O2
- Average molar mass
- 300.3 g/mol
- Monoisotopic mass
- 300.11502975
Names & identifiers
- Preferred name
- 3,4-Dihydro-3,3-diphenyl-1H-2-benzopyran-1-one
- IUPAC
- 3,3-diphenyl-4H-isochromen-1-one
- English name
- 1H-2-Benzopyran-1-one,3,4-dihydro-3,3-diphenyl-
- Molecular formula
- C21H16O2
- Molecular weight
- 300.35
Names & synonyms
3,4-DIHYDRO-3,3-DIPHENYL-1H-2-BENZOPYRAN-1-ONERefChem:486162665-043-52674-45-53,3-Diphenylisochroman-1-one3,3-diphenyl-3,4-dihydro-1H-2-benzopyran-1-one1H-2-Benzopyran-1-one,3,4-dihydro-3,3-diphenyl-NSC 97462NSC 1686583,3-diphenyl-3,4-dihydro-1h-isochromen-1-oneNSC97462SCHEMBL28670431
Show more names
DTXSID20294626NSC-97462NSC168658AKOS016339306NSC-168658
Database identifiers
- CAS
2674-45-5- PubChem CID
- 263122
- DTXSID
DTXSID20294626- EC Number
- 665-043-5
- Nikkaji
- J515.088D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Melting point
- 148 · 148-149 °C
- Boiling point
- 459.1 · 459.1±45.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 411 · H411-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, P273, P301+P317, P330, P391, 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,GHS09
- Hazard statements
- H411-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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