Cyclobutyl 4-fluorophenyl ketone
Basic information
- CAS
31431-13-7- Standard SMILES
O=C(c1ccc(F)cc1)C1CCC1- InChIKey
KMWTUCKAZFNWNG-UHFFFAOYSA-N- Molecular formula
- C11H11FO
- Average molar mass
- 178.2 g/mol
- Monoisotopic mass
- 178.07939313
Names & identifiers
- Preferred name
- Cyclobutyl 4-fluorophenyl ketone
- IUPAC
- cyclobutyl-(4-fluorophenyl)methanone
- English name
- Cyclobutyl-4-fluorophenyl ketone
- Molecular formula
- C11H11FO
- Molecular weight
- 178.2
Names & synonyms
31431-13-7cyclobutyl(4-fluorophenyl)methanoneCyclobutyl 4-fluorophenyl ketonecyclobutyl-(4-fluorophenyl)methanoneMFCD00019264L6LHS7WZM9NSC-125695EINECS 250-628-6NSC125695Methanone, cyclobutyl(4-fluorophenyl)-UNII-L6LHS7WZM9SCHEMBL662218
Show more names
Cyclobutyl-4-fluorophenyl ketoneCyclobutyl 4-fluorophenyl methanoneCyclobutyl-4-fluorophenyl ketone,98%Cyclobutan-1-yl-4-fluorophenyl ketone
DTXSID90185355KMWTUCKAZFNWNG-UHFFFAOYSA-NAKOS009156471NSC 125695SY463621DB-048032CS-0361234NS00051334
Database identifiers
- CAS
31431-13-7- PubChem CID
- 97471
- DTXSID
DTXSID90185355- UNII
- L6LHS7WZM9
- EC Number
- 250-628-6
- Nikkaji
- J267.262F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Boiling point
- 125 · 125-127 °C (8 mmHg)
- Density
- 1.0942 · 1.0942 (estimate)
- refractive index
- 1.5265 · 1.5265-1.5285
- Flash point
- 104 °C · 104 °C
- form
- Liquid
- color
- Clear yellow
- FDA UNII
- 6 LHS7WZM9 · L6LHS7WZM9
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H317-H319-H335-H336
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Risk Statements
- 52 · 52
- Safety Statements
- 24 · 24/25
- HS Code
- 29147000 · 29147000
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
- 29147000
- risk_code
- 52
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H302-H315-H317-H319-H335-H336
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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