3-(1,1'-biphenyl)-4-yl-3,4-dihydronaphthalen-1(2H)-one
Basic information
- CAS
56181-65-8- Standard SMILES
O=C1CC(c2ccc(-c3ccccc3)cc2)Cc2ccccc21- InChIKey
AFIAHUCZUURHQW-UHFFFAOYSA-N- Molecular formula
- C22H18O
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.13576519
Names & identifiers
- Preferred name
- 3-(1,1'-biphenyl)-4-yl-3,4-dihydronaphthalen-1(2H)-one
- IUPAC
- 3-(4-phenylphenyl)-3,4-dihydro-2H-naphthalen-1-one
- English name
- 3-[1,1'-biphenyl]-4-yl-3,4-dihydronaphthalen-1(2H)-one
- Molecular formula
- C22H18O
- Molecular weight
- 298.37772
Names & synonyms
3-[1,1'-biphenyl]-4-yl-3,4-dihydronaphthalen-1(2h)-oneEINECS 260-033-33-[1,1'-Biphenyl]-4-yl-3,4-dihydro-1(2H)-naphthalenone3-(1,1'-Biphenyl)-4-yl-3,4-dihydronaphthalen-1(2H)-one3-(1,1'-Biphenyl)-4-yl-3,4-dihydro-1(2H)-naphthalenoneRefChem:489125260-033-356181-65-83-(4-phenylphenyl)-3,4-dihydro-2H-naphthalen-1-one3-([1,1'-Biphenyl]-4-yl)-3,4-dihydronaphthalen-1(2H)-oneDifenacoum Impurity 23-p-Biphenylyl-1-tetralone
Show more names
Tofacitinib Impurity 227Difenacoum Related Compound 43-(1,1'-Biphenyl-4-yl)-3,4-dihydro-1(2H)-naphthalenone
MFCD18973178KC6YYV5HZE1(2H)-Naphthalenone,3-[1,1'-biphenyl]-4-yl-3,4-dihydro-SCHEMBL25732123DTXSID80971567AFIAHUCZUURHQW-UHFFFAOYSA-NNS000560301(2H)-Naphthalenone, 3-[1,1'-biphenyl]-4-yl-3,4-dihydro-
Database identifiers
- CAS
56181-65-8- PubChem CID
- 92044
- DTXSID
DTXSID80971567- UNII
- KC6YYV5HZE
- EC Number
- 260-033-3
- Nikkaji
- J296.597F
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 460.7 · 460.7±40.0 °C(Predicted)
- Density
- 1.137 · 1.137±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)
The GHS information provided by 1 company from 1 notification 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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