1-(2,5-Difluorphenyl)ethan-1-on

1-(2,5-Difluorophenyl)ethan-1-one

HCID 74794CAS 1979-36-8

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Grundinformationen

Standard-SMILES: CC(=O)c1cc(F)ccc1F
InChIKey: HLAFIZUVVWJAKL-UHFFFAOYSA-N
Summenformel: C8H6F2O
Durchschnittliche Molmasse: 156,13 g/mol
Monoisotopische Masse: 156,03867125

Namen und Bezeichner

Bevorzugter Name: 1-(2,5-Difluorophenyl)ethan-1-one
IUPAC: 1-(2,5-difluorophenyl)ethanone
Lokaler Name: 1-(2,5-Difluorphenyl)ethan-1-on
Englischer Name: 2',5'-Difluoroacetophenone
Summenformel: C8H6F2O
Molmasse: 156.13

Namen und Synonyme

1979-36-81-(2,5-Difluorophenyl)ethanone1-(2,5-Difluorophenyl)ethan-1-oneEINECS 217-837-4HLAFIZUVVWJAKL-UHFFFAOYSA-DTXSID30173498RefChem:420576DTXCID3095989217-837-4InChI=1/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H32',5'-Difluoroacetophenone2,5-Difluoroacetophenone

Weitere Namen anzeigen

TIMTEC-BB SBB0065732',5'-Difluoroacetophenone>2',5'-Difluoroacetophenone98%2',5'-Difluoroacetophenone 98%Methyl(2,5-difluorophenyl) ketone

Ethanone, 1-(2,5-difluorophenyl)-MFCD000098981-acetyl-2,5-difluorobenzene1-(2,5-Difluorophenyl)ethanone #CS-W010921PS-8846D26071-(2,5-Difluorophenyl)ethanone; 1-(2,5-Difluorophenyl)ethanone; 2,5-Difluorophenyl Methyl Ketone

Datenbank-Bezeichner

CAS: 1979-36-8
PubChem CID: 74794
DTXSID: DTXSID30173498
EC Number: 217-837-4
Nikkaji: J199.796C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 158

Physikochemische Eigenschaften

Siedepunkt: 78 · 78-80°C 12mm
Dichte: 1.233 g/mL · 1.233 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.4882(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Chloroform, Ethyl Acetate
Aggregatzustand: Oil
Farbe: Clear Yellow
Wichte: 1.233 · 1.233
BRN: 2963573 · 2963573
InChI: 1S/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
InChIKey: HLAFIZUVVWJAKL-UHFFFAOYSA-N
SMILES: CC(=O)c1cc(F)ccc1F
CAS Datenbank: 1979 · 1979-36-8(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2',5'-Difluoroacetophenone(1979-36-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29147000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2',5'-Difluoroacetophenone is used in the synthesis of pyrazole compounds as inhibitors of dipeptidyl peptidases. These compounds have been shown to produce anti-hyperglycemic effects.