2'-Fluoro-6'-methoxyacetophenone

HCID 2737355

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Grundinformationen

CAS: 120484-50-6
Standard-SMILES: COc1cccc(F)c1C(C)=O
InChIKey: POHCKHGBDOTACV-UHFFFAOYSA-N
Summenformel: C9H9FO2
Durchschnittliche Molmasse: 168,16 g/mol
Monoisotopische Masse: 168,05865769

Namen und Bezeichner

Bevorzugter Name: 2'-Fluoro-6'-methoxyacetophenone
IUPAC: 1-(2-fluoro-6-methoxyphenyl)ethanone
Englischer Name: 2'-FLUORO-6'-METHOXYACETOPHENONE
Summenformel: C9H9FO2
Molmasse: 168.16

Namen und Synonyme

120484-50-62'-Fluoro-6'-methoxyacetophenoneDTXSID80372010RefChem:241162DTXCID40323043642-477-31-(2-fluoro-6-methoxyphenyl)ethanoneMFCD006717622-FLUORO-6-METHOXYACETOPHENONE1-(2-fluoro-6-methoxyphenyl)ethan-1-one1-(2-Fluoro-6-methoxy-phenyl)ethanoneEthanone, 1-(2-fluoro-6-methoxyphenyl)-

Weitere Namen anzeigen

2′-Fluoro-6′-methoxyacetophenone, CAS 120484-50-6

SCHEMBL1957640SCHEMBL30313283POHCKHGBDOTACV-UHFFFAOYSA-N1-acetyl-2-fluoro-6-methoxybenzeneCK2586SBB088157XH1023AKOS000221677

Datenbank-Bezeichner

CAS: 120484-50-6
PubChem CID: 2737355
DTXSID: DTXSID80372010
EC Number: 642-477-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 170

Physikochemische Eigenschaften

Siedepunkt: 217 ℃ · 217℃
Dichte: 1.127 · 1.127
Brechungsindex: 1.508 · 1.508
Flammpunkt: 83 ℃ · 83℃
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: liquid
Farbe: Clear, lemon/pale amber

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 (100%): 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 7 reports by companies from 3 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 (100%)

Sicherheitsdaten

hs_code: 2914790090
hazard_code: Xi
hazard_note: Irritant

Chemie und Industrie

Anwendungen

Verwenden1-(2-Fluoro-6-methoxyphenyl)ethanone is a useful synthetic intermediate. It is used to prepare spiro[2H-1-benzopyran-2,4''-piperidine] derivatives as glycine transport inhibitors.