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About This Item
Linear Formula:
ClC6H4OCH3
CAS Number:
Molecular Weight:
142.58
Beilstein:
2041497
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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Quality Level
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
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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.
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
163.4 °F - closed cup
Flash Point(C)
73 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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One-step preparation of some 3-substituted anisoles.
Zilberman J.
Organic Process Research & Development, 7(3), 303-305 (2003)
3-Chloroanisole for overcharge protection of a Li-ion cell.
Lee Y-G and Cho J.
Electrochimica Acta, 52(25), 7404-7408 (2007)
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
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