2-Chlor-4'-fluorpropiophenon

AKOS BBS-00006444 · Haloperidol Impurity 37 · 3-Chloro-4'-fluoropropiophen · p-Fluoro-β-chloropropiophenone · 4'-Fluoro-β-chloropropiophenone · 3-CHLORO-4'-FLUOROPROPIOPHENONE · 2-Chloro-4'-fluoropropiophenone · 4'-Fluoro-3-chloropropiophenone

https://huagongshe.com/de/chemical/67672

Molekülstruktur von 2-Chlor-4'-fluorpropiophenon

Identifikatoren & physikalische Daten

CAS No.	347-93-3
Summenformel	C9H8ClFO
Durchschnittliche Molmasse	186,61 g/mol
Monoisotopische Masse	186,02477078 g/mol
SMILES	O=C(CCCl)c1ccc(F)cc1
InChIKey	AAHQPLJUSLMHHR-UHFFFAOYSA-N
PubChem CID	67672
EC No.	206-475-2
DTXSID	DTXSID00188251
Lokaler Name	2-Chlor-4'-fluorpropiophenon

Chemische & physikalische Eigenschaften

XLogP	2,2
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	3
Schwere Atome	12
Formalladung	0
Komplexität	153
Schmelzpunkt	47-49 °C(lit.)
Siedepunkt	100-103°C 3mm
Dichte	1.2298 (estimate)
Flammpunkt	198 °F
Lagerbedingungen	Inert atmosphere,Room Temperature
Aggregatzustand	powder to crystal
Farbe	White to Yellow to Orange
BRN	1866785
InChI	InChI=1S/C9H8ClFO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2
InChIKey	AAHQPLJUSLMHHR-UHFFFAOYSA-N
SMILES	C(C1=CC=C(F)C=C1)(=O)CCCl
CAS Datenbank	347-93-3(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (88.6%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 1325 4.1/PG 2
Zollcode	29147000
R-Sätze (R)	36/37/38-52/53-22
Gefahrensymbole	Xi,Xn
hazard_note	Irritant
Sicherheitshinweise (S)	37/39-26-61
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Anwendungen & Verwendung

Verwenden

3-Chloro-4''-fluoropropiophenone can be used as transglutaminase-induced abnormal protein crosslinking inhibitors to prevent and/or use as an therapeutic agent for transglutaminase-related disease.