1-(2,6-Difluorphenyl)ethan-1-on

1-(2,6-Difluorophenyl)ethan-1-one

HCID 83643CAS 13670-99-0

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Grundinformationen

Standard-SMILES: CC(=O)c1c(F)cccc1F
InChIKey: VGIIILXIQLXVLC-UHFFFAOYSA-N
Summenformel: C8H6F2O
Durchschnittliche Molmasse: 156,13 g/mol
Monoisotopische Masse: 156,03867113

Namen und Bezeichner

Bevorzugter Name: 1-(2,6-Difluorophenyl)ethan-1-one
IUPAC: 1-(2,6-difluorophenyl)ethanone
Lokaler Name: 1-(2,6-Difluorphenyl)ethan-1-on
Englischer Name: 1-(2,6-Difluorophenyl)ethan-1-one
Summenformel: C8H6F2O
Molmasse: 156.13

Namen und Synonyme

13670-99-01-(2,6-Difluorophenyl)ethanone1-(2,6-Difluorophenyl)ethan-1-oneEINECS 237-151-9DTXSID10159891RefChem:420669DTXCID3082382237-151-92',6'-Difluoroacetophenone2,6-DifluoroacetophenoneEthanone, 1-(2,6-difluorophenyl)-MFCD00000328

Weitere Namen anzeigen

TIMTEC-BB SBB0066862',6'-Difluoroacetophenone>2',6'-Difluoroacetophenone98%2',6'-Difluoroacetophenone 98%Benzamide,4-(1,4-dimethylethyl)-

Acetophenone, 2',6'-difluoro-1-acetyl-2,6-difluorobenzene2`,6`-Difluoroacetophenone2',6'-difluoro acetophenoneSCHEMBL167447SCHEMBL20956592',6'-Difluoroacetophenone, 97%1-(2,6-Difluoro-phenyl)-ethanone

Datenbank-Bezeichner

CAS: 13670-99-0
PubChem CID: 83643
DTXSID: DTXSID10159891
EC Number: 237-151-9
Nikkaji: J149.979C

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: 148

Physikochemische Eigenschaften

Schmelzpunkt: 52 · 52-55°C
Siedepunkt: 76 · 76-79 °C15 mm Hg(lit.)
Dichte: 1.197 g/mL · 1.197 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.48(lit.)
Flammpunkt: 170 °F · 170 °F
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Chloroform (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand: Liquid
Wichte: 1.197 · 1.197
Farbe: Clear colorless to slightly yellow
Wasserlöslichkeit: Slightly soluble in water.
BRN: 2046068 · 2046068
InChI: InChI=1S/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChIKey: VGIIILXIQLXVLC-UHFFFAOYSA-N
SMILES: C1C(F)=C(C(=O)C)C(F)=CC=1
CAS Datenbank: 13670 · 13670-99-0(CAS DataBase Reference)
NIST chemische Informationen: 1 · Ethanone, 1-(2,6-difluorophenyl)-(13670-99-0)

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 (98%): 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 49 reports by companies from 8 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.