Ethyl 4-cyanobenzoate

Basic Information

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CAS Number

7153-22-2

Molecular Formula

C10H9NO2

Molecular Weight

175.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Physical State

Solid

Melting Point

52.0 to 56.0 deg-C

Boiling Point

140°C/11mmHg

Density

1.1999 (rough estimate)

Refractive Index

1.5060 (estimate)

SMILES

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CCOC(=O)C1=CC=C(C=C1)C#N

InChI

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

InChIKey

JLSSWDFCYXSLQX-UHFFFAOYSA-N

LogP

1.73498

Complexity

220

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

SCHEMBL1365179
ethyl-4-cyanobenzoate
EINECS 230-500-6
Ethyl 4-cyanobenzoate, 99%
7153-22-2
NSC-62689
DS-16734
ethyl p-cyanobenzoate
SY005785
NS00037243
Benzoic acid, 4-cyano-, ethyl ester
AM20060933
FT-0626080
E1167
CS-W001928
4-cyanobenzoic acid ethyl ester
W-104519
Ethyl4-cyanobenzoate
F8881-1838
4-Cyanobenzoic acid, ethyl ester
AKOS005374533
DTXSID10221769
InChI=1/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H
MFCD00001824
EN300-1265958
4-Cyano-benzoic acid ethyl ester
NSC62689
Ethyl 4-cyanobenzoate
A837235
Q52773313
Benzoic acid, 4-cyano-,ethyl ester

MDL Number

MFCD00001824

Customs Code

2926909090

FAQ

What is Ethyl 4-cyanobenzoate (CAS: 7153-22-2)?

Ethyl 4-cyanobenzoate is an organic compound with the chemical formula C9H7NO2. It is a colorless or white crystalline solid with a characteristic odor. This compound is used in pharmaceuticals, dyes, and as a precursor in organic synthesis.

What are the main uses of Ethyl 4-cyanobenzoate (CAS: 7153-22-2)?

Ethyl 4-cyanobenzoate is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It is also used as an intermediate in the production of dyes and as a reagent in organic chemistry research.

Is Ethyl 4-cyanobenzoate (CAS: 7153-22-2) safe?

Ethyl 4-cyanobenzoate is generally safe when handled properly. However, it should be used with caution as it may cause irritation to the eyes and skin. Adequate ventilation and the use of personal protective equipment are recommended.

How should Ethyl 4-cyanobenzoate (CAS: 7153-22-2) be stored?

Ethyl 4-cyanobenzoate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Ideal storage conditions are below 25°C (77°F) to maintain its stability and purity.