2,6-Bis[(4-fluorophenyl)methylidene]cyclohexan-1-one
Basic information
- CAS
395-12-0- Standard SMILES
O=C1C(=Cc2ccc(F)cc2)CCCC1=Cc1ccc(F)cc1- InChIKey
STPNBQOTKFPYEG-UHFFFAOYSA-N- Molecular formula
- C20H16F2O
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.11692145
Names & identifiers
- Preferred name
- 2,6-Bis[(4-fluorophenyl)methylidene]cyclohexan-1-one
- IUPAC
- 2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one
- English name
- 2,6-Bis(4-fluorobenzylidene)cyclohexanone
- Molecular formula
- C20H16F2O
- Molecular weight
- 310.34
Names & synonyms
2,6-Bis(4-fluorobenzylidene)cyclohexanone62085-74-92,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-oneC20H16F2OSCHEMBL18229770DTXSID60278965AKOS030655130DS-003720D889202,6-bis[(4-fluorophenyl)methylene]cyclohexanone2,6-bis[(E)-(4-fluorophenyl)methylidene]cyclohexanone2,6-BIS(4-FLUOROBENZAL)CYCLOHEXANONE
Show more names
2,6-Bis(4-fluorobenzylidene)cyclohexanone >2,6-Bis((E)-4-fluorobenzylidene)cyclohexan-1-one(2E,6E)-2,6-Bis(4-fluorobenzylidene)cyclohexanoneCyclohexanone, 2,6-bis[(4-fluorophenyl)methylene]-, (2E,6E)-
Database identifiers
- CAS
395-12-0、62085-74-9- PubChem CID
- 223302
- DTXSID
DTXSID60278965
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Physicochemical properties
- Melting point
- 147 · 147-154 °C
- Boiling point
- 466.896 · 466.896±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- form
- powder to crystal
- color
- Light yellow to Yellow to Orange
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26
- HS Code
- 2914.39 · 2914.39.9000
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2914.39.9000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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