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

HCID 10857134CAS 84467-19-6

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Grundinformationen

Standard-SMILES: N#CC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIKey: CTKUIZGFDSJHPY-UHFFFAOYSA-N
Summenformel: C11H9Cl2N
Durchschnittliche Molmasse: 226,1 g/mol
Monoisotopische Masse: 225,0112047

Namen und Bezeichner

Bevorzugter Name: 1-(3,4-Dichlorophenyl)-1-cyclobutane-carbonitrile
IUPAC: 1-(3,4-dichlorophenyl)cyclobutane-1-carbonitrile
Englischer Name: 1-(3,4-Dichlorophenyl)cyclobutanecarbonitrile
Summenformel: C11H9Cl2N
Molmasse: 226.1

Namen und Synonyme

84467-19-61-(3,4-dichlorophenyl)-1-cyclobutane-carbonitrileRefChem:422766632-890-71-(3,4-dichlorophenyl)cyclobutanecarbonitrile1-(3,4-Dichlorophenyl)-1-cyclobutanecarbonitrileMFCD097434441-(3,4-dichlorophenyl)cyclobutane-1-carbonitrileCTKUIZGFDSJHPY-UHFFFAOYSA-NAKOS009343568AB90509AC-30065

Weitere Namen anzeigen

1-(3,4-dichlorophenyl)cyclobutanemethylnitrile

CS-12507SY060469DB-353895CS-00386101-(3,4-dichlorophenyl)cyclobutane carbonitrile1-(3,4-dichlorophenyl) -cyclobutanecarbonitrileEN300-1981240Cyclobutanecarbonitrile, 1-(3,4-dichlorophenyl)-

Datenbank-Bezeichner

CAS: 84467-19-6
PubChem CID: 10857134
EC Number: 632-890-7

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 23,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 264

Physikochemische Eigenschaften

storage temp.: 2 · Storage temp. 2-8°C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-(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.