α-Chlor-4-fluoracetophenon

2-Chloro-4'-fluoroacetophenone

HCID 120248CAS 456-04-2

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Grundinformationen

Standard-SMILES: O=C(CCl)c1ccc(F)cc1
InChIKey: UJZWJOQRSMOFMA-UHFFFAOYSA-N
Summenformel: C8H6ClFO
Durchschnittliche Molmasse: 172,58 g/mol
Monoisotopische Masse: 172,00912071

Überblick

structure given in first source

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-4'-fluoroacetophenone
IUPAC: 2-chloro-1-(4-fluorophenyl)ethanone
Lokaler Name: α-Chlor-4-fluoracetophenon
Englischer Name: 2-Chloro-4'-fluoroacetophenone
Summenformel: C8H6ClFO
Molmasse: 172.58

Namen und Synonyme

2-Chloro-4'-fluoroacetophenone456-04-22-Chloro-1-(4-fluorophenyl)ethanonep-Fluorophenacyl chlorideEthanone, 2-chloro-1-(4-fluorophenyl)-alpha-Chloro-4-fluoroacetophenoneAcetophenone, 2-chloro-4'-fluoro-2-Cl-4'-F-acetophenoneAW8FP5M4P2DTXSID70196560RefChem:86205DTXCID10119051

Weitere Namen anzeigen

AKOS BBS-000040732-Chloro-4'-fluoroacLABOTEST-BB LT00233195FluorophenacylchlorideTicagrelor Impurity 2854-Fluorchloracetophenonep-Fluorophenacylchloride2-chloro-4-fluorophenoneFLUVASTATIN INTERMEDIATES

207-256-44-Fluorophenacyl chlorideMFCD00011652alpha-Chloro-p-fluoroacetophenone2-chloro-1-(4-fluorophenyl)ethan-1-one2'-chloro-4-fluoroacetophenone4-fluorophenacylchlorideCHEMBL105037

Datenbank-Bezeichner

CAS: 456-04-2
PubChem CID: 120248
DTXSID: DTXSID70196560
ChEMBL: CHEMBL105037
UNII: AW8FP5M4P2
EC Number: 207-256-4
Nikkaji: J90.722G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 141

Physikochemische Eigenschaften

Schmelzpunkt: 47 · 47-50 °C(lit.)
Siedepunkt: 247 °C · 247°C
Dichte: 1.2752 · 1.2752 (estimate)
Dampfdruck: 1.9 Pa · 1.9Pa at 27.1℃
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Flakes or Platelets
Farbe: Light yellow to yellow-beige
Wasserlöslichkeit: Insoluble in water.
BRN: 637860 · 637860
InChI: InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKey: UJZWJOQRSMOFMA-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=C(F)C=C1)CCl
CAS Datenbank: 456 · 456-04-2(CAS DataBase Reference)
NIST chemische Informationen: «ALPHA»-chloro-para-fluoroacetophenone(456-04-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (70.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 157 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 25-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/1946

Hazard Classes and CategoriesAcute Tox. 3 (70.1%)

Sicherheitsdaten

F: 9-19
wgk: 3
ridadr: UN 3261 8/PG 2
hs_code: 29147000
RTECS-Nr.: AM6550000
risk_code: 36/37/38-34-23/25-36
hazard_code: Xi,C,T
hazard_note: Corrosive/Lachrymatory
safety_code: 26-28-45-36/37/39-27
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden1-methyl-2-(4-methylthio)phenyl-4-(4-fluoro)phenylimidazole which was synthesized by condensing N-methyl-4-(methylthio)benzamidine with 2-chloro-4-fluoroacetophenone.