Methyl 5-chloro-6-methyl-2-pyrazinecarboxylate

Basic Information

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CAS Number

77168-85-5

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

40-43 ºC

Boiling Point

260 ºC

Density

1.314

Flash Point

111 ºC

SMILES

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CC1=NC(=CN=C1Cl)C(=O)OC

InChI

InChI=1S/C7H7ClN2O2/c1-4-6(8)9-3-5(10-4)7(11)12-2/h3H,1-2H3

InChIKey

GGNGFNQPYMKDDR-UHFFFAOYSA-N

LogP

1.22502

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

177

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

SB38690
5-Chloro-6-methyl-pyrazine-2-carboxylic acid methyl ester
FT-0708468
EN300-317144
77168-85-5
SCHEMBL3710244
SY111283
Methyl5-chloro-6-methylpyrazine-2-carboxylate
AC-26749
Methyl 5-chloro-6-methylpyrazine-2-carboxylate
CS-W019404
METHYL 5-CHLORO-6-METHYL-2-PYRAZINE CARBOXYLATE
Methyl 5-chloro-6-methyl-pyrazine-2-carboxylate
AKOS006319723
F13826
Z1198649623
5-Chloro-6-methyl-2-pyrazinecarboxylic acid methyl ester
GGNGFNQPYMKDDR-UHFFFAOYSA-N
DTXSID80504556
AS-10127
MFCD18633146
Pyrazinecarboxylic acid, 5-chloro-6-methyl-, methyl ester
AMY11516
PubChem24151
BBL102856
ABP001119
2047AC
STL556664
CM10047
methyl 5-chloro-6-methylpyrazine-2-carboxylate

MDL Number

MFCD18633146

FAQ

What are the physical and chemical properties of Methyl 5-chloro-6-methyl-2-pyrazinecarboxylate (CAS: 77168-85-5)?

Methyl 5-chloro-6-methyl-2-pyrazinecarboxylate (CAS: 77168-85-5) is typically found in a crystalline form with a molecular weight of approximately 202.6 g/mol. It has a low solubility in water, but is more soluble in organic solvents like ethanol and acetone. Chemically, it is reactive, particularly with nucleophiles, and is used in various synthetic pathways due to its electrophilic character.

How is Methyl 5-chloro-6-methyl-2-pyrazinecarboxylate (CAS: 77168-85-5) typically synthesized?

Methyl 5-chloro-6-methyl-2-pyrazinecarboxylate (CAS: 77168-85-5) can be synthesized via an esterification reaction between 5-chloro-6-methyl-2-pyrazinecarboxylic acid and methyl alcohol. This process often requires a catalyst such as sulfuric acid and is conducted under reflux conditions. The yield is typically good, and the reaction is selective under appropriate conditions.

What industries use Methyl 5-chloro-6-methyl-2-pyrazinecarboxylate (CAS: 77168-85-5)?

Methyl 5-chloro-6-methyl-2-pyrazinecarboxylate (CAS: 77168-85-5) is used in the pharmaceutical industry for the synthesis of certain intermediates and in the polymer industry as a stabilizer or cross-linking agent. It also finds applications in the sensor industry for gas detection due to its reactivity and in the semiconductor industry for specific chemical processes.

What precautions should be taken when handling Methyl 5-chloro-6-methyl-2-pyrazinecarboxylate (CAS: 77168-85-5)?

When handling Methyl 5-chloro-6-methyl-2-pyrazinecarboxylate (CAS: 77168-85-5), it is essential to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or under a fume hood. Spills should be cleaned up using appropriate absorbents, and it is recommended to have a safety data sheet (SDS) readily available for reference and emergency procedures.