3',4',5'-Trifluoroacetophenone

HCID 2776907

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Grundinformationen

CAS: 220141-73-1
Standard-SMILES: CC(=O)c1cc(F)c(F)c(F)c1
InChIKey: KXVIYAHOUAMVJX-UHFFFAOYSA-N
Summenformel: C8H5F3O
Durchschnittliche Molmasse: 174,12 g/mol
Monoisotopische Masse: 174,02924944

Namen und Bezeichner

Bevorzugter Name: 3',4',5'-Trifluoroacetophenone
IUPAC: 1-(3,4,5-trifluorophenyl)ethanone
Englischer Name: 3',4',5'-Trifluoroacetophenone
Summenformel: C8H5F3O
Molmasse: 174.12

Namen und Synonyme

3',4',5'-Trifluoroacetophenone220141-73-1DTXSID40380292RefChem:269333DTXCID70331318671-898-51-(3,4,5-trifluorophenyl)ethanone3,4,5-trifluoroacetophenone1-(3,4,5-trifluorophenyl)ethan-1-oneMFCD00083533Ethanone, 1-(3,4,5-trifluorophenyl)-1-acetyl-3,4,5-trifluorobenzene

Weitere Namen anzeigen

3',4',5'-TRIFLUOROACETOPHE3',4',5'-Trifluoroacetophenone97%3',4',5'-Trifluoroacetophenone 97%3′,4′,5′-Trifluoroacetophenone, CAS 220141-73-1

CL86481-(3,4,5-TRIFLUORO-PHENYL)-ETHANONE1,4-Dimethylpentylamine hydrochloride1-(3,4,5-trifluorophe3,4,5-triflouroacetophenoneSCHEMBL8236773,4,5-trifluoro acetophenoneSCHEMBL2095495

Datenbank-Bezeichner

CAS: 220141-73-1
PubChem CID: 2776907
DTXSID: DTXSID40380292
EC Number: 671-898-5
Nikkaji: J2.894.824G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 12
Formalladung: 0
Komplexität: 171

Physikochemische Eigenschaften

Siedepunkt: 209 ℃ · 209℃
Dichte: 1.303 · 1.303
Brechungsindex: 1.473 · 1.473
Flammpunkt: 100 °C · >100°C
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
CAS Datenbank: 220141 · 220141-73-1(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 7 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

ridadr: 1993
hs_code: 2914790090
risk_code: 36/37/38
hazard_code: Xi,F
hazard_note: Irritant/Flammable
safety_code: 26-36
hazard_class: IRRITANT

Chemie und Industrie

Anwendungen

Verwenden3',4',5'-Trifluoroacetophenone is an organic intermediate that can be used to prepare the key mother nucleus (S)-N-[4-(1-aminoethyl)-2,6-difluorophenyl]methanesulfonamide of vanilloid compounds.