4'-Fluoroacetophenone
Basic information
- CAS
403-42-9- Standard SMILES
CC(=O)c1ccc(F)cc1- InChIKey
ZDPAWHACYDRYIW-UHFFFAOYSA-N- Molecular formula
- C8H7FO
- Average molar mass
- 138.14 g/mol
- Monoisotopic mass
- 138.04809306
Names & identifiers
- Preferred name
- 4'-Fluoroacetophenone
- IUPAC
- 1-(4-fluorophenyl)ethanone
- English name
- 4-Fluoroacetophenone
- Molecular formula
- C8H7FO
- Molecular weight
- 138.14
Names & synonyms
4'-Fluoroacetophenone1-(4-Fluorophenyl)ethanone4-FLUOROACETOPHENONEp-Fluoroacetophenone1-(4-Fluorophenyl)Ethan-1-OneEthanone, 1-(4-fluorophenyl)-Acetophenone, 4'-fluoro-1-acetyl-4-fluorobenzeneUNII-TVQ090602VP-FLUOROHYPNONEpara-FluoroacetophenoneTVQ090602V
Show more names
4-Fluoracetophenonp-FluoroAKOS BBS-00003234Fluoroacetophenone34-FLUOROCETOPHENONE
METHYL 4-FLUOROPHENYL KETONEEINECS 206-960-9NSC 30635NSC-306354-FLUOROPHENYLETHANAL4-fluorophenyl methyl ketone4-ACETYLPHENYL FLUORIDEDTXSID0059952
Database identifiers
- CAS
403-42-9- PubChem CID
- 9828
- DTXSID
DTXSID0059952- ChEMBL
CHEMBL257923- UNII
- TVQ090602V
- EC Number
- 206-960-9
- Nikkaji
- J31.092A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 125
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aromatic Ketones, Halogenated
DrugsPharmaceuticals -> Metabolite of Pipamperone
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.74
Vapor Pressure0.75 [mmHg]
Physical DescriptionColorless to yellow liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 4 °C · 4 °C
- Boiling point
- 77 · 77-78 °C10 mm Hg(lit.)
- Density
- 1.143 g/mL · 1.143 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.511(lit.)
- Flash point
- 160 °F · 160 °F
- storage temp.
- Sealed in dry,Room Temperature
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
H315 (98.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 67 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Ethanone, 1-(4-fluorophenyl)-
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS] See alpha-Chloroacetophenone and 4-Chloroacetophenone.
Hazard Classes and CategoriesSkin Irrit. 2 (98.5%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29147090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-23
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-(4-fluorophenyl)-: ACTIVE
Applications
Uses4-Fluoroacetophenone can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.
Uses4’-Fluoroacetophenone is an intermediate used for the synthetic preparation of various pharmaceutical good and agricultural products.
Uses4’Fluoroacetophenone is an intermediate used for the synthetic preparation of various pharmaceutical good and agricultural products.
Upstream & downstream products
Downstream products
Related reactions
1,383 records
Compound notes
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