4'-Fluoro-2'-hydroxyacetophenone

HCID 2737326CAS 1481-27-2

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Grundinformationen

Standard-SMILES: CC(=O)c1ccc(F)cc1O
InChIKey: HLTBTUXAMVOKIH-UHFFFAOYSA-N
Summenformel: C8H7FO2
Durchschnittliche Molmasse: 154,14 g/mol
Monoisotopische Masse: 154,04300762

Namen und Bezeichner

Bevorzugter Name: 4'-Fluoro-2'-hydroxyacetophenone
IUPAC: 1-(4-fluoro-2-hydroxyphenyl)ethanone
Englischer Name: 4'-Fluoro-2'-hydroxyacetophenone
Summenformel: C8H7FO2
Molmasse: 154.14

Namen und Synonyme

4'-Fluoro-2'-hydroxyacetophenone1481-27-21-(4-fluoro-2-hydroxyphenyl)ethanone4-Fluoro-2-hydroxyacetophenone1-(4-fluoro-2-hydroxyphenyl)ethan-1-oneEthanone, 1-(4-fluoro-2-hydroxyphenyl)-MFCD001432031-(4-fluoro-2-hydroxy-phenyl)ethanone1-acetyl-4-fluoro-2-hydroxybenzene1-(2-Hydroxy-4-fluorophenyl)ethanone1-[2-hydroxy-4-fluorophenyl]ethanone4/'-Fluoro-2/'-hydroxyacetophenone

Weitere Namen anzeigen

4'-Fluoro-2'-hydroxy4-FLUORO-2-HYDROXYACETOPHEuoro-2'-hydroxyacetophenone4-Fluoro-2-hydroxyacethophenone4'-Fluoro-2'-hydroxyacetophenone>4'-Fluoro-2'-hydroxyacetophenone98%

2-acetyl-5-fluorophenolSCHEMBL5374884'-fluoro-2'hydroxyacetophenoneSCHEMBL29797486DTXSID30371992CL8668SBB063885AKOS005207270

Datenbank-Bezeichner

CAS: 1481-27-2
PubChem CID: 2737326
DTXSID: DTXSID30371992
EC Number: 604-626-0
Nikkaji: J1.026.010H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,1
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: 32 · 32-34°C
Siedepunkt: 65 °C · 65°C 2mm
Dichte: 1.185 · 1.1850 (estimate)
Flammpunkt: 98 °C · 98°C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to lump
pka: 9.17 · 9.17±0.10(Predicted)
Farbe: White to Almost white
BRN: 2249799 · 2249799
InChI: InChI=1S/C8H7FO2/c1-5(10)7-3-2-6(9)4-8(7)11/h2-4,11H,1H3
InChIKey: HLTBTUXAMVOKIH-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(F)C=C1O)C
CAS Datenbank: 1481 · 1481-27-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (98%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 50 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (98%)

Sicherheitsdaten

wgk: 3
hs_code: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-36
hazard_class: IRRITANT
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden4′-Fluoro-2′-hydroxyacetophenone may be used in the preparation of series of 4′-fluoro-2′-hydroxychalcones, via aldol condensation with substituted aldehydes followed by cyclization with hydrazine hydrate.