3'-Bromo-2,2,2-trifluoroacetophenone

HCID 14647442CAS 655-26-5

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Grundinformationen

Standard-SMILES: O=C(c1cccc(Br)c1)C(F)(F)F
InChIKey: JOKNUXPHMQZTQB-UHFFFAOYSA-N
Summenformel: C8H4BrF3O
Durchschnittliche Molmasse: 253,02 g/mol
Monoisotopische Masse: 251,93976151

Namen und Bezeichner

Bevorzugter Name: 3'-Bromo-2,2,2-trifluoroacetophenone
IUPAC: 1-(3-bromophenyl)-2,2,2-trifluoroethanone
Englischer Name: 3'-Bromo-2,2,2-trifluoroacetophenone
Summenformel: C8H4BrF3O
Molmasse: 253.02

Namen und Synonyme

3'-Bromo-2,2,2-trifluoroacetophenoneRefChem:484622625-399-4655-26-51-(3-bromophenyl)-2,2,2-trifluoroethanone1-(3-Bromophenyl)-2,2,2-Trifluoroethan-1-OneMFCD00511232Ethanone, 1-(3-bromophenyl)-2,2,2-trifluoro-3 inverted exclamation marka-Bromo-2,2,2-trifluoroacetophenoneDTXSID90562586AKOS005259569PS-7450

Weitere Namen anzeigen

2-trifluoroethanone1-(3-broMophenyl)-2m-bromotrifluoroacetone3-Brom-α,α,α-trifluoracetophenon3-Bromo-ααα-trifluoroacetophenone3'-Bromo-2,2,2-trifluoroacetophenone98%3'-Bromo-2,2,2-trifluoroacetophenone 98%

SY0264453'-Bromo-2,2,2-trifluoroacetophenone, 97%3 inverted exclamation mark -Bromo-2,2,2-trifluoroacetophenone1-bromo-3-(trifluoroacetyl)benzeneSCHEMBL1467063AB907413-Bromo-|A,|A,|A-trifluoroacetophenone1-(3-bromo-phenyl)-2,2,2-trifluoro-eth

Datenbank-Bezeichner

CAS: 655-26-5
PubChem CID: 14647442
DTXSID: DTXSID90562586
EC Number: 625-399-4
Nikkaji: J2.141.897H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,8
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 13
Formalladung: 0
Komplexität: 202

Physikochemische Eigenschaften

Siedepunkt: 83.5 °C · 83.5 °C(Press: 12 Torr)
Dichte: 1.637 g/mLat · 1.637g/mLat 25℃
Brechungsindex: 20 · n20/D 1.504
storage temp.: 2 · 2-8°C
Aggregatzustand: liquid
Farbe: Clear, colourless
BRN: 2329910 · 2329910
InChI: InChI=1S/C8H4BrF3O/c9-6-3-1-2-5(4-6)7(13)8(10,11)12/h1-4H
InChIKey: JOKNUXPHMQZTQB-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CC(Br)=C1)C(F)(F)F

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 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.