Methyl 6-bromo-2-pyrazinecarboxylate

Basic Information

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CAS Number

40155-34-8

Molecular Formula

C6H5BrN2O2

Molecular Weight

217.02 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

Boiling Point

268.6±35.0 ºC (760 Torr),

Flash Point

116.3±25.9 ºC,

SMILES

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COC(=O)c1cncc(Br)n1

InChI

InChI=1S/C6H5BrN2O2/c1-11-6(10)4-2-8-3-5(7)9-4/h2-3H,1H3

InChIKey

LYNSTNYSMCKCSS-UHFFFAOYSA-N

LogP

1.0256999999999998

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

154

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

Methyl 6-bromopyrazine-2-carboxylate
6-broMo-pyrazine-2-carboxylic acid Methyl ester
6-broMo-3-Methylpyrazine-2-carboxylate
6-bromo-2-Pyrazinecarboxylic acid methyl ester
Methyl-6-bromopyrazine-2-carboxylate
BCP23160
CM0142
CM10424
SY011898
AB0024730
W6055
ST24031161
methyl 6-bromopyrazine-2-carboxylate

MDL Number

MFCD14155890

FAQ

What are the physical and chemical properties of Methyl 6-bromo-2-pyrazinecarboxylate (CAS: 40155-34-8)?

Methyl 6-bromo-2-pyrazinecarboxylate is a crystalline solid with a molecular weight of approximately 250.03 g/mol. It is slightly soluble in water but readily soluble in organic solvents like methanol and ethanol. Chemically, it is moderately reactive towards nucleophiles and is commonly used in organic synthesis. It has a melting point around 75-77°C.

How is Methyl 6-bromo-2-pyrazinecarboxylate (CAS: 40155-34-8) typically synthesized?

Methyl 6-bromo-2-pyrazinecarboxylate can be synthesized through the bromination of methyl 2-pyrazinecarboxylate using N-bromosuccinimide (NBS) in the presence of a radical initiator. This method provides good yield and selectivity for the bromo substituent at the 6-position. Common solvents include dichloromethane or acetonitrile.

What industries use Methyl 6-bromo-2-pyrazinecarboxylate (CAS: 40155-34-8)?

Methyl 6-bromo-2-pyrazinecarboxylate is primarily used in the pharmaceutical industry for the synthesis of various biologically active compounds. It also finds applications in polymer chemistry for functionalizing polymers and in sensor technology for detecting specific chemical species.

What precautions should be taken when handling Methyl 6-bromo-2-pyrazinecarboxylate (CAS: 40155-34-8)?

When handling Methyl 6-bromo-2-pyrazinecarboxylate, it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. Work in a well-ventilated area or a fume hood to avoid inhalation of the compound. Spills should be cleaned up with appropriate absorbents and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.