Ethyl 2-chloropyrimidine-5-carboxylate

Basic Information

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CAS Number

89793-12-4

Molecular Formula

C7H7ClN2O2

Molecular Weight

186.6 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

56.0 to 60.0 deg-C

Boiling Point

80°C/5mmHg

Density

1.312

Flash Point

143.816°C

Refractive Index

1.527

SMILES

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CCOC(=O)C1=CN=C(N=C1)Cl

InChI

InChI=1S/C7H7ClN2O2/c1-2-12-6(11)5-3-9-7(8)10-4-5/h3-4H,2H2,1H3

InChIKey

IEMKQRSOAOPKRJ-UHFFFAOYSA-N

LogP

1.3067

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

158

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

Ethyl 2-chloropyrimidine-5-carboxylate
2-Chloro-pyrimidine-5-carboxylic acid ethyl ester
5-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester
Ethyl 2-chloro-pyrimidine-5-carboxylate
Ethyl 2-Chlorpyrimidine-5-carboxylate
2-Chloropyrimidine-5-carboxylic Acid Ethyl Ester
ethyl-2-chloropyrimidine-5-carboxylate
Ethyl2-chloropyrimidine-5-carboxylate
KSC663I8R
IEMKQRSOAOPKRJ-UHFFFAOYSA-N
BCP15035
2-Chloro-5-(ethoxycarbonyl)pyrimidine
2-Chloropyrimidine-5-carboxylic acid ethyl ester
Ethyl 2-chloro-5-pyrimidinecarboxylate
ethyl 2-chloropyrimidine-5-carboxylate
HY-W003995
EN300-73574
89793-12-4
ethyl 2-chloranylpyrimidine-5-carboxylate
A843313
2-chloropyrimidine-5-carboxylic acid ethyl ester
E1250
Z1160999475
CS-W003995
ethyl 2-chlorpyrimidine-5-carboxylate
AS-5140
MFCD09863164
J-520738
DTXSID50440699
AKOS006283037
SCHEMBL829286

MDL Number

MFCD09863164

Customs Code

29339900

FAQ

What is Ethyl 2-chloropyrimidine-5-carboxylate (CAS: 89793-12-4)?

Ethyl 2-chloropyrimidine-5-carboxylate is an organic compound with the chemical formula C9H9ClN2O2. It is a derivative of pyrimidine, featuring an ethyl group and a chlorine atom at the 2 and 5 positions of the pyrimidine ring, respectively. This compound is typically a white to off-white solid and is known for its stability under normal conditions. It is commonly used as an intermediate in chemical synthesis.

What are the main uses of Ethyl 2-chloropyrimidine-5-carboxylate (CAS: 89793-12-4)?

Ethyl 2-chloropyrimidine-5-carboxylate is primarily used in pharmaceutical research for the synthesis of various drugs and medicinal compounds. It also finds applications in organic chemistry as a building block for complex molecules. Additionally, it is utilized in industrial processes and can be a key component in the development of agrochemicals and specialty chemicals.

Is Ethyl 2-chloropyrimidine-5-carboxylate (CAS: 89793-12-4) safe?

Ethyl 2-chloropyrimidine-5-carboxylate is generally considered safe when handled properly, but it should be treated with standard chemical safety precautions. It is advisable to use protective equipment such as gloves and goggles to avoid skin and eye contact. Safety data sheets should be consulted for detailed toxicity information and regulatory compliance.

How should Ethyl 2-chloropyrimidine-5-carboxylate (CAS: 89793-12-4) be stored?

Ethyl 2-chloropyrimidine-5-carboxylate should be stored in a cool, dry, and well-ventilated place, away from direct sunlight. It is best kept in a sealed container to prevent moisture absorption. Storage at temperatures below 25°C is recommended to maintain stability and prolong shelf life. Always store in a safe location away from incompatible materials.