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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

Related Categories

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

signalword

Warning

Hazard Classifications

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

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Certificates of Analysis (COA)

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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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