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Structure

Ethyl 4-cyanobenzoate

CAS
7153-22-2
Catalog Number
ACM7153222
Category
Other Products
Molecular Weight
175.18
Molecular Formula
C10H9NO2

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Specification

Synonyms
Ethyl 4-cyanobenzoate, Benzoic acid, 4-cyano-, ethyl ester, E18603_ALDRICH, NSC62689, EINECS 230-500-6, ZINC00404391, BENZOIC ACID,4-CYANO,ETHYL ESTER, ST5406402, 7153-22-2, InChI=1/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H
IUPAC Name
ethyl 4-cyanobenzoate
Canonical SMILES
CCOC(=O)C1=CC=C(C=C1)C#N
InChI Key
JLSSWDFCYXSLQX-UHFFFAOYSA-N
Boiling Point
300.5ºC at 760 mmHg
Melting Point
52-55ºC
Flash Point
138.9ºC
Density
1.14 g/cm³
Appearance
white to light yellow crystalline powder
EC Number
230-500-6
Exact Mass
175.06300
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
3
H-Bond Donor
0
Safety Description
S26-S36/37/39
Stability
Stable under normal temperatures and pressures.
WGK Germany
3
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