1-(4-Bromophenyl)propan-2-one

1-(4-BROMOPHENYL)PROPAN-2-ONE · 4-BROMOPHENYLACETONE · 4-BROMOPHENYLACETONATE · LABOTEST-BB LT01143429 · 4-Bromophenylacetone,97% · 4-Bromophenylacetone,99% · 4-Bromophenylacetone >4-Bromophenylacetone ,98% · P-BROMO BENZYL METHYL KETONE

https://huagongshe.com/de/chemical/736332

Molekülstruktur von 1-(4-Bromophenyl)propan-2-one

Identifikatoren & physikalische Daten

CAS No.	6186-22-7
Summenformel	C9H9BrO
Durchschnittliche Molmasse	213,07 g/mol
Monoisotopische Masse	211,98367701 g/mol
SMILES	CC(=O)Cc1ccc(Br)cc1
InChIKey	CFMMTXJMIJRUSH-UHFFFAOYSA-N
PubChem CID	736332
EC No.	976-149-9
DTXSID	DTXSID60352996

Chemische & physikalische Eigenschaften

XLogP	2,2
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	11
Formalladung	0
Komplexität	136
Schmelzpunkt	24-25 °C
Siedepunkt	139°C/11mmHg(lit.)
Dichte	1.3841 (rough estimate)
Brechungsindex	1.5560 to 1.5600
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	Liquid After Melting
Farbe	Clear yellow
Löslichkeit	Miscible with chloroform and dichloromethane. Slightly miscible with water.
InChI	InChI=1S/C9H9BrO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3
InChIKey	CFMMTXJMIJRUSH-UHFFFAOYSA-N
SMILES	C(C1=CC=C(Br)C=C1)C(=O)C
CAS Datenbank	6186-22-7(CAS DataBase Reference)

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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Zollcode	29143900
Sicherheitshinweise (S)	24/25

Anwendungen & Verwendung

Verwenden

4-Bromophenylacetone is used to prepare biphenyl-4-yl-acetone by reacting with phenylboronic acid using cesium fluoride as a reagent and palladium phosphine complex as a catalyst.