Ethyl 2-cyanopropanoate

Basic Information

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CAS Number

1572-99-2

Molecular Formula

C6H9NO2

Molecular Weight

116.16 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

Basic Physical Properties

Boiling Point

193°C

Flash Point

96℃(lit.)

Refractive Index

1.4130-1.4150

SMILES

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

InChI

InChI=1S/C6H9NO2/c1-3-9-6(8)5(2)4-7/h5H,3H2,1-2H3

InChIKey

MIHRVXYXORIINI-UHFFFAOYSA-N

LogP

1.2055

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

144

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Susceptible to air oxidation

Synonyms & References

English

A809832
AI3-05609
W-109682
EN300-58904
DTXSID401313963
SY023747
Q27122994
CHEBI:51925
AKOS009158696
ethyl 2-cyano-2-methylacetate
BCP21666
Ethyl 2-cyanopropionate
NSC68508
ethyl 2 cyanopropionate
FT-0612118
1572-99-2
ethyl-2-cyanopropionate
2-cyano-propionic acid ethyl ester
CS-W002095
Z878438822
NSC-68508
Ethyl 2-methylcyanoacetate
NSC 68508
2-Cyanopropionic acid ethyl pound>>ethyl 2-cyano-2-methylacetate
Ethyl2-cyanopropanoate
EINECS 216-393-9
2-Cyanopropionic acid ethyl ester
Ethyl 2-cyanopropanoate
NS00048598
2-cyanopropanoic acid ethyl ester
MFCD00013812

MDL Number

MFCD00013812

Customs Code

2926909090

FAQ

What are the physical and chemical properties of Ethyl 2-cyanopropanoate (CAS: 1572-99-2)?

Ethyl 2-cyanopropanoate (CAS: 1572-99-2) is a colorless liquid with a molecular weight of 119.11 g/mol. It has a density of 0.92 g/cm³ and a boiling point of 118-119°C. Chemically, it is soluble in water (5.7 g/L) and is moderately reactive, showing some tendency towards hydrolysis and nucleophilic substitution reactions.

How is Ethyl 2-cyanopropanoate (CAS: 1572-99-2) typically synthesized?

Ethyl 2-cyanopropanoate (CAS: 1572-99-2) is typically synthesized by the reaction of ethyl cyanoacetate with acetic anhydride in the presence of a catalytic amount of acetic acid. The yield is usually around 90%, and the reaction is carried out at room temperature under mild conditions.

What industries use Ethyl 2-cyanopropanoate (CAS: 1572-99-2)?

Ethyl 2-cyanopropanoate (CAS: 1572-99-2) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also utilized in the polymer industry for the production of certain resins and in the semiconductor industry as a precursor in the fabrication of sensors and electronic devices.

What precautions should be taken when handling Ethyl 2-cyanopropanoate (CAS: 1572-99-2)?

When handling Ethyl 2-cyanopropanoate (CAS: 1572-99-2), it is essential to use proper personal protective equipment (PPE), including gloves, safety goggles, and lab coat. It should be stored in a cool, dry place away from heat sources. In case of spill, handle with care and follow proper safety protocols. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.