1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethan-1-one

HCID 2758231

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Grundinformationen

CAS: 130336-16-2
Standard-SMILES: O=C(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIKey: DZDSQRPDUCSOQV-UHFFFAOYSA-N
Summenformel: C8H3Cl2F3O
Durchschnittliche Molmasse: 243,01 g/mol
Monoisotopische Masse: 241,95130474

Namen und Bezeichner

Bevorzugter Name: 1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethan-1-one
IUPAC: 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone
Englischer Name: 3',5'-DICHLORO-2,2,2-TRIFLUOROACETOPHENONE
Summenformel: C8H3Cl2F3O
Molmasse: 243.01

Namen und Synonyme

1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone1-(3,5-DICHLOROPHENYL)-2,2,2-TRIFLUOROETHAN-1-ONEEC 675-511-0RefChem:422897675-511-0130336-16-23',5'-Dichloro-2,2,2-trifluoroacetophenoneMFCD013199961-(3,5-dichloro-phenyl)-2,2,2-trifluoro-ethanone3,5-Dichloro-2',2',2'-trifluoroacetophenoneSY041239CS-0035131

Weitere Namen anzeigen

5-DICHLORO-2uoroethanone1-(3,5-DichL)-2,2,2-trifLFluralaner-002Acetophenone673Fluralaner Impurity 282-TRIFLUOROACETOPHENONE

D5113EN300-2682551-(3,5-Dichloro-phenyl)-2,2,2-trifluoroethanone1-(3,5-Dichlorophenyl)-2,2,2-trifluoroethanone; 1-(3',5'-Dichlorophenyl)-2,2,2-trifluoroethanone; 3',5'-Dichloro-2,2,2-trifluoroacetophenone; 1-(3,5-Dichlorophenyl)-2,2,2-trifluoro-ethanone;BCP069011-(3,5-dichlorophSCHEMBL44147DTXSID20374230

Datenbank-Bezeichner

CAS: 130336-16-2
PubChem CID: 2758231
DTXSID: DTXSID20374230
EC Number: 675-511-0
Nikkaji: J935.754H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 219

Experimentelle und physikochemische Eigenschaften

PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

Physikochemische Eigenschaften

Siedepunkt: 265 ℃ · 265℃
Dichte: 1.506 · 1.506
Brechungsindex: 1.498 to · 1.4980 to 1.5020
Flammpunkt: 114 ℃ · 114℃
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Oil
Farbe: Colourless
InChI: InChI=1S/C8H3Cl2F3O/c9-5-1-4(2-6(10)3-5)7(14)8(11,12)13/h1-3H
InChIKey: DZDSQRPDUCSOQV-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC(Cl)=CC(Cl)=C1)C(F)(F)F
CAS Datenbank: 130336 · 130336-16-2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]

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

Aggregated GHS information provided per 8 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 28-04-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17248

Hazard Classes and CategoriesAcute Tox. 4 (25%)

Sicherheitsdaten

hs_code: 2914790090
risk_code: 36/37/38
safety_code: 26-36/37/39

Chemie und Industrie

Anwendungen

Verwenden3'',5''-Dichloro-2,2,2-trifluoroacetophenone is a reagent used for enantioselective preparation of benzazephinoindoles bearing trifluoromethylated quaternary stereocenters catalyzed by chiral spirocyclic phosphoric acids