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160008

Sigma-Aldrich

1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile

97%

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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

Quality Level

100

Assay

97%

refractive index

n20/D 1.548 (lit.)

bp

295 °C (lit.)

density

1.137 g/mL at 25 °C (lit.)

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’.

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

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