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

HCID 10857134

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Basic information

CAS: 84467-19-6
Standard SMILES: N#CC1(c2ccc(Cl)c(Cl)c2)CCC1
InChIKey: CTKUIZGFDSJHPY-UHFFFAOYSA-N
Molecular formula: C11H9Cl2N
Average molar mass: 226.1 g/mol
Monoisotopic mass: 225.0112047

Names & identifiers

Preferred name: 1-(3,4-Dichlorophenyl)-1-cyclobutane-carbonitrile
IUPAC: 1-(3,4-dichlorophenyl)cyclobutane-1-carbonitrile
English name: 1-(3,4-Dichlorophenyl)cyclobutanecarbonitrile
Molecular formula: C11H9Cl2N
Molecular weight: 226.1

Names & synonyms

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

Show more names

1-(3,4-dichlorophenyl)cyclobutanemethylnitrile

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 264

Physicochemical properties

storage temp.: 2 · Storage temp. 2-8°C
Appearance: Colorless to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 332 · H332-H302-H312
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

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

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H332-H302-H312
Precautionary statements: P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501

Chemistry & industry

Applications · 1 item

Uses1-(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.