2-Bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one

HCID 2778691

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Grundinformationen

CAS: 103962-10-3
Standard-SMILES: O=C(CBr)c1ccc(OC(F)(F)F)cc1
InChIKey: AOAGGWLQIILIIV-UHFFFAOYSA-N
Summenformel: C9H6BrF3O2
Durchschnittliche Molmasse: 283,04 g/mol
Monoisotopische Masse: 281,95033

Namen und Bezeichner

Bevorzugter Name: 2-Bromo-1-[4-(trifluoromethoxy)phenyl]ethan-1-one
IUPAC: 2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanone
Englischer Name: 4-(TRIFLUOROMETHOXY)PHENACYL BROMIDE
Summenformel: C9H6BrF3O2
Molmasse: 283.04

Namen und Synonyme

2-Bromo-1-[4-(Trifluoromethoxy)Phenyl]Ethan-1-One2-bromo-1-(4-(trifluoromethoxy)phenyl)ethan-1-oneRefChem:465946628-433-6103962-10-34-(Trifluoromethoxy)phenacyl bromide2-Bromo-1-(4-(trifluoromethoxy)phenyl)ethanone2-Bromo-4'-(trifluoromethoxy)acetophenone2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanoneMFCD00052333Ethanone, 2-bromo-1-[4-(trifluoromethoxy)phenyl]-2-Bromo-4'-trifluoromethoxyacetophenone

Weitere Namen anzeigen

BUTTPARK 35\01-565-(Trifluoromethoxy)phenacyl bromide1,1,1-Trifluoromethoxypent-3-en-2-one4-(Trifluoromethoxy)phenacylbromide97%2-brom-4'-(trifluormethoxy)-acetophenon4-(Trifluoromethoxy)phenacyl bromide 97%

p-(trifluoromethoxy)phenacyl bromide2-Bromo-1-(4-trifluoromethoxy-phenyl)-ethanoneSCHEMBL6396324-trifluoromethoxyphenacyl bromideDTXSID403810824-(Trifluoromethoxy)phenacylbromideCL86354-(Trifluoromethoxy)phenacyl bromide;

Datenbank-Bezeichner

CAS: 103962-10-3
PubChem CID: 2778691
DTXSID: DTXSID40381082
EC Number: 628-433-6
Nikkaji: J1.690.428G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,6
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 3
Schwere Atome: 15
Formalladung: 0
Komplexität: 222

Physikochemische Eigenschaften

Schmelzpunkt: 55 °C · 55 °C
Siedepunkt: 266 · 266.0±35.0 °C(Predicted)
Dichte: 1.621 · 1.621±0.06 g/cm3(Predicted)
Flammpunkt: 110 °C · 110 °C
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Sparingly), Methanol (Slightly)
Aggregatzustand: Solid
Farbe: Pale yellow
InChI: 1S/C9H6BrF3O2/c10-5-8(14)6-1-3-7(4-2-6)15-9(11,12)13/h1-4H,5H2
InChIKey: AOAGGWLQIILIIV-UHFFFAOYSA-N
SMILES: FC(F)(F)Oc1ccc(cc1)C(=O)CBr
CAS Datenbank: 103962 · 103962-10-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H317 (92.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H319 (95.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 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.