Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

160008

Sigma-Aldrich

1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile

97%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
ClC6H4C4H6CN
CAS Number:
28049-61-8
Molecular Weight:
191.66
EC Number:
248-799-7
MDL number:
MFCD00065239
UNSPSC Code:
12352100
PubChem Substance ID:
24849843
NACRES:
NA.22

Assay

97%

refractive index

n20/D 1.548 (lit.)

bp

295 °C (lit.)

density

1.137 g/mL at 25 °C (lit.)

functional group

chloro

SMILES string

Clc1ccc(cc1)C2(CCC2)C#N

InChI

1S/C11H10ClN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2

InChI key

XQONXPWVIZZJIL-UHFFFAOYSA-N

General description

1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile is also referred as 1-(4-chlorophenyl)-1-cyanocyclobutane.

Application

1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile (1-(4-chlorophenyl)-1-cyanocyclobutane) can be used in the synthesis of pharmacologically active metabolites of the anti-obesity drug-sibutramine.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Phase transfer alkylation of arylacetonitriles revisited.
Barbasiewicz M, et al.
Tetrahedron Letters, 47(23), 3871-3874 (2006)

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service