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157333

3-Chloroanisole

Name: 3-Chloroanisole
Brand: ALDRICH

98%

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About This Item

Linear Formula:

ClC₆H₄OCH₃

CAS Number:

2845-89-8

Molecular Weight:

142.58

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24849672

EC Number:

220-642-7

Beilstein/REAXYS Number:

2041497

MDL number:

MFCD00000591

Assay:

98%

Form:

liquid

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Properties

Quality Level

100

assay

98%

form

liquid

refractive index

n20/D 1.536 (lit.)

bp

193 °C (lit.)

density

1.164 g/mL at 25 °C (lit.)

functional group

chloro

SMILES string

COc1cccc(Cl)c1

InChI

1S/C7H7ClO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

InChI key

YUKILTJWFRTXGB-UHFFFAOYSA-N

Description

General description

One-step preparation of 3-chloroanisole from the corresponding 3-substituted nitrobenzene has been reported.

Application

3-Chloroanisole was employed as starting reagent in the regioselective synthesis of 4- and 7-alkoxyindoles. It was also employed as electrolyte additive for the overcharging protection of Li-ion cell.

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Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

163.4 °F - closed cup

flash_point_c

73 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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One-step preparation of some 3-substituted anisoles.

Zilberman J.

Organic Process Research & Development, 7(3), 303-305 (2003)

Regioselective synthesis of 4- and 7-alkoxyindoles from 2,3-dihalophenols: application to the preparation of indole inhibitors of phospholipase A2.

Roberto Sanz et al.

The Journal of organic chemistry, 72(14), 5113-5118 (2007-06-15)

An efficient and regioselective synthesis of 4- and 7-alkoxyindoles has been developed from commercially available starting materials such as 3-halophenols and 3-chloroanisole. Directed ortho-metalation followed by two palladium-catalyzed processes, a Sonogashira coupling and a tandem amination/cyclization reaction, allows the synthesis

3-Chloroanisole for overcharge protection of a Li-ion cell.

Lee Y-G and Cho J.

Electrochimica Acta, 52(25), 7404-7408 (2007)

Global Trade Item Number

SKU	GTIN
157333-25G	04061837005831