3,5-Bis(trifluoromethyl)phenacyl bromide

HCID 2736170

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Grundinformationen

CAS: 131805-94-2
Standard-SMILES: O=C(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey: ZEKBFXJTIAEUOF-UHFFFAOYSA-N
Summenformel: C10H5BrF6O
Durchschnittliche Molmasse: 335,04 g/mol
Monoisotopische Masse: 333,9428

Namen und Bezeichner

Bevorzugter Name: 3,5-Bis(trifluoromethyl)phenacyl bromide
IUPAC: 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethanone
Englischer Name: 3',5'-BIS(TRIFLUOROMETHYL)-2-BROMOACETOPHENONE
Summenformel: C10H5BrF6O
Molmasse: 335.04

Namen und Synonyme

3,5-bis(trifluoromethyl)phenacyl bromideRefChem:486557638-928-9131805-94-21-(3,5-Bis(trifluoromethyl)phenyl)-2-bromoethanone3',5'-Bis(trifluoromethyl)-2-bromoacetophenone1-[3,5-bis(trifluoromethyl)phenyl]-2-bromoethanone1-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Bromoethan-1-OneMFCD00792434a-Bromo-3',5'-bis(trifluoromethyl)acetophenoneEthanone, 1-[3,5-bis(trifluoromethyl)phenyl]-2-bromo-2-bromo-1-[3,5-bis(trifluoromethyl)phenyl]ethanone

Weitere Namen anzeigen

BUTTPARK 41\03-56Nicergoline IMp. D (EP)3,5-Bis(trifluoromethyl)phenacylbromide97%3,5-Bis(trifluoromethyl)phenacyl bromide 97%2-bromo-1-3,5-di(trifluoromethyl)phenylethylone

1-[3,5-Bis(Trifluoromethyl)Phenyl]-2-Bromo-Ethanone3,5-bis(trifluoromethyl)phenacylbromide1-(3,5-bis(trifluoromethyl)phenyl)-2-bromoethan-1-one3,5-bistrifluoromethyl-phenacyl bromideTrifluoroBromoacetophenoneSCHEMBL6304141-(3,5-Bis-trifluoromethyl-phenyl)-2-bromo-ethanoneCHEMBL4648550

Datenbank-Bezeichner

CAS: 131805-94-2
PubChem CID: 2736170
DTXSID: DTXSID70371178
ChEMBL: CHEMBL4648550
EC Number: 638-928-9
Nikkaji: J2.387.956E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 4,2
Polarare Oberfläche (TPSA): 17,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 288

Physikochemische Eigenschaften

Schmelzpunkt: 44 · 44-46
Siedepunkt: 211.6 · 211.6±35.0 °C(Predicted)
Dichte: 1.665 · 1.665±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: solid
Farbe: White
CAS Datenbank: 131805 · 131805-94-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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.