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About This Item
Linear Formula:
NCC6H4CO2C2H5
CAS Number:
Molecular Weight:
175.18
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
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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 Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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)
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