CAS 1006-33-3 1-(2-Bromo-5-fluorophenyl)ethan-1-one (HCID 22736080)

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Grundinformationen

CAS: 1006-33-3
Standard-SMILES: CC(=O)c1cc(F)ccc1Br
InChIKey: BQXROZQUDCJBBY-UHFFFAOYSA-N
Summenformel: C8H6BrFO
Durchschnittliche Molmasse: 217,03 g/mol
Monoisotopische Masse: 215,95860513

Namen und Bezeichner

Bevorzugter Name: 1-(2-Bromo-5-fluorophenyl)ethan-1-one
IUPAC: 1-(2-bromo-5-fluorophenyl)ethanone
Englischer Name: 2'-Bromo-5'-fluoroacetophenone
Summenformel: C8H6BrFO
Molmasse: 217.04

Namen und Synonyme

1006-33-31-(2-bromo-5-fluorophenyl)ethanone1-(2-bromo-5-fluorophenyl)ethan-1-oneDTXSID10627949RefChem:421579DTXCID30578702600-114-62'-BROMO-5'-FLUOROACETOPHENONEEthanone, 1-(2-bromo-5-fluorophenyl)-MFCD077806352-Bromo-5-Fluoroacetophenone2 inverted exclamation mark -Bromo-5 inverted exclamation mark -fluoroacetophenone

Weitere Namen anzeigen

13C7]-2',4'-DichloroacetophenoneAcetophenone, 2'-bromo-5'-fluoro-2'-Bromo-5'-fluoroacetophenone,98%2'-Bromo-5'-fluoroacetophenone, 99%Ethanone,1-(2-bromo-5-fluorophenyl)-"2-Bromo-5-fluoroacetophenone 13C2, D3"

1-(2-bromo-5-fluoro-phenyl)ethanoneSCHEMBL485712SCHEMBL29847023BQXROZQUDCJBBY-UHFFFAOYSA-Nl-(2-bromo-5-fluorophenyl)ethanone2-Bromo-5-fluoroacetophenone, 97%AKOS015890107AC-3634

Datenbank-Bezeichner

CAS: 1006-33-3
PubChem CID: 22736080

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

Siedepunkt: 144 ℃/18mm · 144℃/18mm
Dichte: 1.535 · 1.535±0.06 g/cm3(Predicted)
Brechungsindex: 1.5525 · 1.5525
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in methanol.
Aggregatzustand: liquid
Farbe: Clear, pale lemon/lime

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)

Sicherheitsdaten

hs_code: 2914790090

Chemie und Industrie

Anwendungen

Verwenden2'-Bromo-5'-fluoroacetophenone is used in the synthesis of oxabicyclic compounds. It is also used in the enantioselective synthesis of chiral 3-aryl-1-indanone molecules.