3'-Chloro-4'-fluoroacetophenone

HCID 520422CAS 2923-66-2

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Grundinformationen

Standard-SMILES: CC(=O)c1ccc(F)c(Cl)c1
InChIKey: PCJPESKRPOTNGU-UHFFFAOYSA-N
Summenformel: C8H6ClFO
Durchschnittliche Molmasse: 172,58 g/mol
Monoisotopische Masse: 172,0091207

Namen und Bezeichner

Bevorzugter Name: 3'-Chloro-4'-fluoroacetophenone
IUPAC: 1-(3-chloro-4-fluorophenyl)ethanone
Englischer Name: 3-Chloro-4-fluoroacetophenone
Summenformel: C8H6ClFO
Molmasse: 172.58

Namen und Synonyme

3'-Chloro-4'-fluoroacetophenone2923-66-21-(3-Chloro-4-fluorophenyl)ethanoneDTXSID70334344RefChem:484649DTXCID80285434608-330-23-Chloro-4-fluoroacetophenone1-(3-Chloro-4-fluorophenyl)ethan-1-oneEthanone, 1-(3-chloro-4-fluorophenyl)-MFCD000422031-acetyl-3-chloro-4-fluorobenzene

Weitere Namen anzeigen

3'-Chloro-4'-fluoroacetophenone97%3'-Chloro-4'-fluoroacetophenone 97%3'-Chloro-4'-fluoroacetophenone ,98%1-(3-chloro-4-fluorophenyl)acetic acid3′-Chloro-4′-fluoroacetophenone, CAS 2923-66-2

1-(3-chloro-4-fluoro-phenyl)ethanone1-(3-Chloro-4-fluoro-phenyl)-ethanoneSCHEMBL75563orb30315934'-fluoro-3'-chloroacetophenoneFr12177CL8654SBB063231

Datenbank-Bezeichner

CAS: 2923-66-2
PubChem CID: 520422
DTXSID: DTXSID70334344
EC Number: 608-330-2

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
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

Schmelzpunkt: 42 °C · 42 °C
Siedepunkt: 126 °C · 126 °C
Dichte: 1.258 · 1.258±0.06 g/cm3(Predicted)
Flammpunkt: 126 · 126-127°C/15mm
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: powder to crystal
Farbe: White to Light yellow to Dark green
BRN: 3117772 · 3117772
CAS Datenbank: 2923 · 2923-66-2(CAS DataBase Reference)
NIST chemische Informationen: 3 · 3-Chloro-4-fluoroacetophenone(2923-66-2)

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 (88.9%): 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 9 reports by companies from 5 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.