1-(3,4-Dichlorophenyl)-1-cyclobutane-carbonitrile

1-(3,4-DICHLOROPHENYL)CYCLOBUTANE-1-CARBONITRILE · 1-(3,4-Dichlorophenyl)cyclobutanecarbonitrile · 1-(3,4-dichlorophenyl)cyclobutanemethylnitrile · Cyclobutanecarbonitrile, 1-(3,4-dichlorophenyl)- · 1-(3,4-dichlorophenyl)-1-cyclobutanecarbonitrile

https://huagongshe.com/de/chemical/10857134

Molekülstruktur von 1-(3,4-Dichlorophenyl)-1-cyclobutane-carbonitrile

Identifikatoren & physikalische Daten

CAS No.	84467-19-6
Summenformel	C11H9Cl2N
Durchschnittliche Molmasse	226,1 g/mol
Monoisotopische Masse	225,0112047 g/mol
SMILES	N#CC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIKey	CTKUIZGFDSJHPY-UHFFFAOYSA-N
PubChem CID	10857134
EC No.	632-890-7

Chemische & physikalische Eigenschaften

XLogP	3,7
Polarare Oberfläche (TPSA)	23,8
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	14
Formalladung	0
Komplexität	264
Lagerbedingungen	Storage temp. 2-8°C

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 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	Acute Tox. 4 (100%)
Alarmwort	Warnung
Gefahrenhinweise	Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Anwendungen & Verwendung

Verwenden

1-(3,4-Dichlorophenyl)cyclobutanecarbonitrile is an intermediate in the synthesis of Chloro-sibutramine hydrochloride (C370150) which is a reagent used in the preparation of substituted cyclobutanes and their pharmaceutical compositions with antidepressant activity.