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557943

Ethyl 2-cyanobenzoate

97%

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About This Item

Linear Formula:
NCC6H4CO2C2H5
CAS Number:
6525-45-7
Molecular Weight:
175.18
NACRES:
NA.22
PubChem Substance ID:
24879708
UNSPSC Code:
12352100
MDL number:
MFCD03423595
Assay:
97%
Form:
solid
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assay

97%

form

solid

mp

63-67 °C (lit.)

functional group

ester, nitrile

SMILES string

CCOC(=O)c1ccccc1C#N

InChI

1S/C10H9NO2/c1-2-13-10(12)9-6-4-3-5-8(9)7-11/h3-6H,2H2,1H3

InChI key

RQQAJOJDAZNFPF-UHFFFAOYSA-N

General description

Reaction between phthalic acid monoamide and ethanol in pyridine in the presence of p-toluenesulfonyl chloride affords ethyl 2-cyanobenzoate.

Application

Ethyl 2-cyanobenzoate may be used to synthesize 2-(aminomethyl)benzyl alcohol.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBG4354V
10330KH
09327BB

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5-Membered N-heterocyclic compounds by dimethyl carbonate chemistry.
Arico F, et al.
Green Chemistry, 14(1), 58-61 (2012)
Effect of ortho substituents on carbonyl carbon 13C NMR chemical shifts in substituted phenyl benzoates.
Nummert V, et al.
Journal of Physical Organic Chemistry, 22(12), 1155-1165 (2009)

Global Trade Item Number

SKUGTIN
557943-5G04061831821338