Propyl cyanoacetate

Basic Information

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CAS Number

14447-15-5

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

216°C

Flash Point

108°C

Refractive Index

1.4200-1.4230

SMILES

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CCCOC(=O)CC#N

InChI

InChI=1S/C6H9NO2/c1-2-5-9-6(8)3-4-7/h2-3,5H2,1H3

InChIKey

NLFIMXLLXGTDME-UHFFFAOYSA-N

LogP

1.3496000000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

133

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

Synonyms & References

English

cyanoacetic acid n-propyl ester
n-Propyl cyanoacetate
NLFIMXLLXGTDME-UHFFFAOYSA-
E85244
Propyl cyanoacetate
Cyanessigsaurepropylester
InChI=1/C6H9NO2/c1-2-5-9-6(8)3-4-7/h2-3,5H2,1H3
CS-0217234
AKOS015915500
Acetic acid, cyano-, propyl ester
2-([4-(TERT-BUTOXYCARBONYL)PIPERAZINO]CARBONYL)BENZOICACID
Acetic acid, 2-cyano-, propyl ester
EN300-7171577
propyl 2-cyanoacetate
A808218
MFCD00015784
14447-15-5
AS-62490
EINECS 238-424-5
Cyanoacetic Acid Propyl Ester
BCP12769
FT-0659933
SCHEMBL926842
NS00024697
AI3-32563
DTXSID5073400
Propyl 2-cyanoacetate
Cyanoacetic acid n-propyl ester
n-Propyl cyanoacetate (PCYA)
Propyl Cyanoacetate
Aceticacid, cyano-, propyl ester (8CI,9CI)

MDL Number

MFCD00015784

Customs Code

2926909090

FAQ

What are the physical and chemical properties of Propyl cyanoacetate (CAS: 14447-15-5)?

Propyl cyanoacetate (CAS: 14447-15-5) is an organic compound with a crystalline form and a molecular weight of approximately 120.14 g/mol. It has a pungent odor and is highly soluble in organic solvents like ethanol and acetone. Chemically, it is reactive and prone to hydrolysis, making it useful in various chemical reactions.

How is Propyl cyanoacetate (CAS: 14447-15-5) typically synthesized?

Propyl cyanoacetate (CAS: 14447-15-5) is typically synthesized through the reaction of acetyl chloride with propiononitrile. This process involves the use of a gas-phase reaction followed by a distillation step to purify the product. The reaction is selective and yields high purity Propyl cyanoacetate with a yield of over 80%.

What industries use Propyl cyanoacetate (CAS: 14447-15-5)?

Propyl cyanoacetate (CAS: 14447-15-5) is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry as a monomer for polymerization, and in the sensor industry as a reagent. It is also utilized in the semiconductor industry for specific chemical processes.

What precautions should be taken when handling Propyl cyanoacetate (CAS: 14447-15-5)?

When handling Propyl cyanoacetate (CAS: 14447-15-5), proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. It should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be handled using appropriate absorbents, and the area should be well-ventilated. Always refer to the safety data sheet (SDS) for detailed handling instructions.