4-Fluoracetophenon

4'-Fluoroacetophenone

HCID 9828CAS 403-42-9

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Grundinformationen

Standard-SMILES: CC(=O)c1ccc(F)cc1
InChIKey: ZDPAWHACYDRYIW-UHFFFAOYSA-N
Summenformel: C8H7FO
Durchschnittliche Molmasse: 138,14 g/mol
Monoisotopische Masse: 138,04809306

Namen und Bezeichner

Bevorzugter Name: 4'-Fluoroacetophenone
IUPAC: 1-(4-fluorophenyl)ethanone
Lokaler Name: 4-Fluoracetophenon
Englischer Name: 4-Fluoroacetophenone
Summenformel: C8H7FO
Molmasse: 138.14

Namen und Synonyme

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

Weitere Namen anzeigen

4-Fluoracetophenonp-FluoroAKOS BBS-00003234Fluoroacetophenone34-FLUOROCETOPHENONE

METHYL 4-FLUOROPHENYL KETONEEINECS 206-960-9NSC 30635NSC-306354-FLUOROPHENYLETHANAL4-fluorophenyl methyl ketone4-ACETYLPHENYL FLUORIDEDTXSID0059952

Datenbank-Bezeichner

CAS: 403-42-9
PubChem CID: 9828
DTXSID: DTXSID0059952
ChEMBL: CHEMBL257923
UNII: TVQ090602V
EC Number: 206-960-9
Nikkaji: J31.092A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 125

Experimentelle und physikochemische Eigenschaften

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]

Physikochemische Eigenschaften

Schmelzpunkt: 4 °C · 4 °C
Siedepunkt: 77 · 77-78 °C10 mm Hg(lit.)
Dichte: 1.143 g/mL · 1.143 g/mL at 20 °C(lit.)
Brechungsindex: 20 · n20/D 1.511(lit.)
Flammpunkt: 160 °F · 160 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: Liquid
Wichte: 1.138 · 1.138
Farbe: Clear colorless to slightly yellow
BRN: 386013 · 386013
InChI: 1S/C8H7FO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,1H3
InChIKey: ZDPAWHACYDRYIW-UHFFFAOYSA-N
SMILES: CC(=O)c1ccc(F)cc1
CAS Datenbank: 403 · 403-42-9(CAS DataBase Reference)
NIST chemische Informationen: 1 · Ethanone, 1-(4-fluorophenyl)-(403-42-9)
EPA chemische Informationen: 4 · 4'-Fluoroacetophenone (403-42-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

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%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29147090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-23
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationEthanone, 1-(4-fluorophenyl)-: ACTIVE

Anwendungen

Verwenden4-Fluoroacetophenone can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.