2-Chloro-2,2-difluoroacetophenone

HCID 238296CAS 384-67-8

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(c1ccccc1)C(F)(F)Cl
InChIKey: MNOONJNILVDLSW-UHFFFAOYSA-N
Summenformel: C8H5ClF2O
Durchschnittliche Molmasse: 190,57 g/mol
Monoisotopische Masse: 189,9996989

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name: 2-Chloro-2,2-difluoroacetophenone
IUPAC: 2-chloro-2,2-difluoro-1-phenylethanone
Englischer Name: 2-Chloro-2,2-difluoroacetophenone
Summenformel: C8H5ClF2O
Molmasse: 190.57

Namen und Synonyme

384-67-82-Chloro-2,2-difluoroacetophenoneDTXSID20285675RefChem:468544DTXCID40236826621-031-12-chloro-2,2-difluoro-1-phenylethanone2,2,2-ChlorodifluoroacetophenoneCHLORODIFLUOROACETOPHENONE2-chloro-2,2-difluoro-1-phenylethan-1-oneMFCD00042123Ethanone, 2-chloro-2,2-difluoro-1-phenyl-

Weitere Namen anzeigen

2-Chloro-2,2-dChlorodifluorobenzophenoneà,à-difluorophenacyl chlorideà-chloro-à,à-difluoroacetopheneα,α-Difluoro-α-chloroacetophenone

ChlorodifluoroMethyl phenyl ketoneNSC42611ChlorodifluroacetophenoneSCHEMBL855642a-Chloro-a,a-difluoroacetophenone2-Chloro-2,2,difluoroacetophenoneCL8637NSC-42611

Datenbank-Bezeichner

CAS: 384-67-8
PubChem CID: 238296
DTXSID: DTXSID20285675
EC Number: 621-031-1
Nikkaji: J264.262J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 176

Physikochemische Eigenschaften

Schmelzpunkt: 102 · 102-103 °C
Siedepunkt: 94 · 94-96 °C35 mm Hg(lit.)
Dichte: 1.293 g/mL · 1.293 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.497(lit.)
Flammpunkt: 163 °F · 163 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: Difficult to mix.
Aggregatzustand: liquid
Farbe: Clear, colourless
BRN: 2251448 · 2251448
InChI: 1S/C8H5ClF2O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H
InChIKey: MNOONJNILVDLSW-UHFFFAOYSA-N
SMILES: FC(F)(Cl)C(=O)c1ccccc1
CAS Datenbank: 384 · 384-67-8(CAS DataBase Reference)

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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 19
wgk: 3
ridadr: UN 3334
hs_code: 29147000
risk_code: 36/37/38
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-37
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungNovel and non-ODS-based (ODS = ozone-depleting substance) difluorocarbene reagents for O- and N-difluoromethylation. PhCOCF2Cl reacts with a variety of structurally diverse phenol derivatives to produce aryl difluoromethyl ethers in good yields. PhSO2CF2Cl can react with a variety of structurally diverse phenol derivatives and N-heterocyclic compounds.

Verwenden2-Chloro-2,2-difluoroacetophenone can be used:As a reagent in the difluoromethylation of various phenols to yield aryl difluoromethyl ethers.As a precursor in the Baylis-Hillman reaction of fluoroalkyl ketones to obtain chlorodifluoromethyl containing products.As a substrate in the synthesis of propargyl alcohols using a novel ruthenium catalyst.