1-(2,5-Difluorphenyl)ethan-1-on

1-(2,5-difluorophenyl)ethan-1-one · 2,5-DIFLUOROACETOPHENONE · TIMTEC-BB SBB006573 · 2',5'-difluoroacetophenone · 2',5'-Difluoroacetophenone>2',5'-Difluoroacetophenone98% · 1-(2,5-Difluorophenyl)ethanone · 2',5'-Difluoroacetophenone 98% · Ethanone, 1-(2,5-difluorophenyl)-

https://huagongshe.com/de/chemical/74794

Molekülstruktur von 1-(2,5-Difluorphenyl)ethan-1-on

Identifikatoren & physikalische Daten

CAS No.	1979-36-8
Summenformel	C8H6F2O
Durchschnittliche Molmasse	156,13 g/mol
Monoisotopische Masse	156,03867125 g/mol
SMILES	CC(=O)c1cc(F)ccc1F
InChIKey	HLAFIZUVVWJAKL-UHFFFAOYSA-N
PubChem CID	74794
EC No.	217-837-4
DTXSID	DTXSID30173498
Lokaler Name	1-(2,5-Difluorphenyl)ethan-1-on

Chemische & physikalische Eigenschaften

XLogP	1,8
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	1
Schwere Atome	11
Formalladung	0
Komplexität	158
Siedepunkt	78-80°C 12mm
Dichte	1.233 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.4882(lit.)
Flammpunkt	>230 °F
Lagerbedingungen	Sealed in dry,Room Temperature
Löslichkeit	Chloroform, Ethyl Acetate
Aggregatzustand	Oil
Farbe	Clear Yellow
Wichte	1.233
BRN	2963573
InChI	1S/C8H6F2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
InChIKey	HLAFIZUVVWJAKL-UHFFFAOYSA-N
SMILES	CC(=O)c1cc(F)ccc1F
CAS Datenbank	1979-36-8(CAS DataBase Reference)
NIST chemische Informationen	2',5'-Difluoroacetophenone(1979-36-8)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29147000
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-37/39
Gefahrenklasse	IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3
Lagerklasse	10 - Combustible liquids

Anwendungen & Verwendung

Verwenden

2',5'-Difluoroacetophenone is used in the synthesis of pyrazole compounds as inhibitors of dipeptidyl peptidases. These compounds have been shown to produce anti-hyperglycemic effects.