3,5-Bis(trifluoromethyl)phenacyl bromide

BUTTPARK 41\03-56 · Nicergoline IMp. D (EP) · 3,5-BIS(TRIFLUOROMETHYL)PHENACYL BROMIDE · 3,5-Bis(trifluoromethyl)phenacylbromide97% · 3,5-Bis(trifluoromethyl)phenacyl bromide 97% · 3',5'-BIS(TRIFLUOROMETHYL)-2-BROMOACETOPHENONE · a-Bromo-3',5'-bis(trifluoromethyl)acetophenone · 2-bromo-1-3,5-di(trifluoromethyl)phenylethylone

https://huagongshe.com/de/chemical/2736170

Molekülstruktur von 3,5-Bis(trifluoromethyl)phenacyl bromide

Identifikatoren & physikalische Daten

CAS No.	131805-94-2
Summenformel	C10H5BrF6O
Durchschnittliche Molmasse	335,04 g/mol
Monoisotopische Masse	333,9428 g/mol
SMILES	O=C(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey	ZEKBFXJTIAEUOF-UHFFFAOYSA-N
PubChem CID	2736170
ChEMBL	CHEMBL4648550
EC No.	638-928-9
DTXSID	DTXSID70371178

Chemische & physikalische Eigenschaften

XLogP	4,2
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	7
Frei drehbare Bindungen	2
Schwere Atome	18
Formalladung	0
Komplexität	288
Schmelzpunkt	44-46
Siedepunkt	211.6±35.0 °C(Predicted)
Dichte	1.665±0.06 g/cm3(Predicted)
Lagerbedingungen	Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand	solid
Farbe	White
CAS Datenbank	131805-94-2(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH314 (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 exposureRespiratory 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.
Hazard Classes and Categories	Skin Corr. 1B (50%)Skin Irrit. 2 (50%)Eye Irrit. 2 (50%)STOT SE 3 (50%)
UN-Transportnummer	1760
Zollcode	2914790090
R-Sätze (R)	34-36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36/37/39
Gefahrenklasse	IRRITANT