1-(5-Fluor-2-hydroxyphenyl)ethan-1-on

2-Acetyl-4-fluorophenol

HCID 95992CAS 394-32-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(=O)c1cc(F)ccc1O
InChIKey: KOFFXZYMDLWRHX-UHFFFAOYSA-N
Summenformel: C8H7FO2
Durchschnittliche Molmasse: 154,14 g/mol
Monoisotopische Masse: 154,04300768

Überblick

1-(5-Fluoro-2-hydroxyphenyl)ethan-1-one is an aromatic ketone.

Namen und Bezeichner

Bevorzugter Name: 2-Acetyl-4-fluorophenol
IUPAC: 1-(5-fluoro-2-hydroxyphenyl)ethanone
Lokaler Name: 1-(5-Fluor-2-hydroxyphenyl)ethan-1-on
Englischer Name: 1-(5-Fluoro-2-hydroxyphenyl)-1-ethanone
Summenformel: C8H7FO2
Molmasse: 154.14

Namen und Synonyme

394-32-15'-Fluoro-2'-hydroxyacetophenone1-(5-Fluoro-2-hydroxyphenyl)ethanone1-(5-Fluoro-2-hydroxyphenyl)ethan-1-one5-Fluoro-2-hydroxyacetophenone2-Hydroxy-5-fluoroacetophenoneAcetophenone, 5'-fluoro-2'-hydroxy-2-Acetyl-4-fluorophenolUE6FHC9K7MNSC-46624KOFFXZYMDLWRHX-UHFFFAOYSA-DTXSID30192588

Weitere Namen anzeigen

2-Acety-4-fluorophenol1-(5-FLUORO-2-HYDROXY-P2-hydroxy-5-fluorophenone5'-Fluoro-2'-hydroxyacetopheno5’-fluoro-2’-hydroxy-acetophenon

NSC 46624RefChem:197650DTXCID701150793-FLUORO-6-HYDROXYACETOPHENONEInChI=1/C8H7FO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3KOFFXZYMDLWRHX-UHFFFAOYSA-N1-(5-fluoro-2-hydroxyphenyl)-1-ethanoneEthanone, 1-(5-fluoro-2-hydroxyphenyl)-

Datenbank-Bezeichner

CAS: 394-32-1
PubChem CID: 95992
DTXSID: DTXSID30192588
ChEMBL: CHEMBL5278222
ChEBI: CHEBI:194799
UNII: UE6FHC9K7M
EC Number: 206-893-5
Nikkaji: J213.629E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

Schmelzpunkt: 56 · 56-58 °C(lit.)
Siedepunkt: 65 · 65-66 °C8 mm Hg(lit.)
Dichte: 1.185 · 1.1850 (estimate)
Flammpunkt: 65 · 65-66°C/8mm
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
pka: 10.17 · 10.17±0.18(Predicted)
Farbe: White to Gray to Brown
Wasserlöslichkeit: 0.68 G/L · Soluble 0.68 G/L
BRN: 2359087 · 2359087
InChI: 1S/C8H7FO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3
InChIKey: KOFFXZYMDLWRHX-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(F)ccc1O
CAS Datenbank: 394 · 394-32-1(CAS DataBase Reference)
NIST chemische Informationen: 5 · 5-Fluoro-2-hydroxyacetophenone(394-32-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (88%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 50 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (88%)

Sicherheitsdaten

wgk: 3
hs_code: 29147000
RTECS-Nr.: AM8502300
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-37/39-36/37/39
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden5′-Fluoro-2′-hydroxyacetophenone has been used in the preparation of:1-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-5-phenyl-2,4-pentadien-1-one3-hydroxy and 3-methoxyflavones3-hydroxy and 3-methoxy 2-styrylchromones