1-(3-Chloro-2-fluorophenyl)ethan-1-one

HCID 11116531CAS 161957-59-1

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: CC(=O)c1cccc(Cl)c1F
InChIKey: ZHDLNEIXOUIAQO-UHFFFAOYSA-N
Summenformel: C8H6ClFO
Durchschnittliche Molmasse: 172,58 g/mol
Monoisotopische Masse: 172,0091207

Namen und Bezeichner

Bevorzugter Name: 1-(3-Chloro-2-fluorophenyl)ethan-1-one
IUPAC: 1-(3-chloro-2-fluorophenyl)ethanone
Englischer Name: 3'-Chloro-2'-fluoroacetophenone
Summenformel: C8H6ClFO
Molmasse: 172.58

Namen und Synonyme

1-(3-CHLORO-2-FLUOROPHENYL)ETHAN-1-ONERefChem:423531681-355-4161957-59-11-(3-chloro-2-fluorophenyl)ethanone3'-Chloro-2'-fluoroacetophenoneMFCD001061653-Chloro-2-fluoroacetophenone1-acetyl-3-chloro-2-fluorobenzeneEthanone, 1-(3-chloro-2-fluorophenyl)-SCHEMBL3612002CL8653

Weitere Namen anzeigen

1-(3-Chloro-2-fluorophenyl)3′-Chloro-2′-fluoroacetophenone, CAS 161957-59-1

AKOS005138015AC-26279AS-460653/'-CHLORO-2/'-FLUOROACETOPHENONE3 inverted exclamation mark -Chloro-2 inverted exclamation mark -fluoroacetophenoneEthanone, 1-(chlorofluorophenyl)-1-(3-chloro-2-fluoro-phenyl)ethanoneDTXSID80455736

Datenbank-Bezeichner

CAS: 161957-59-1
PubChem CID: 11116531
DTXSID: DTXSID80455736
EC Number: 681-355-4
Nikkaji: J2.016.136A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 160

Physikochemische Eigenschaften

Siedepunkt: 239.3 · 239.3±25.0 °C(Predicted)
Dichte: 1.258 · 1.258±0.06 g/cm3(Predicted)
Brechungsindex: 1.5315 · 1.5315
storage temp.: Inert atmosphere,Room Temperature

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 5 reports by companies from 2 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.