Methyl 3-bromo-2-pyrazinecarboxylate

Basic Information

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CAS Number

51171-02-9

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

Melting Point

44 ºC

Boiling Point

264.7±35.0 ºC (760 Torr),

Flash Point

113.9±25.9 ºC,

SMILES

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COC(=O)c1nccnc1Br

InChI

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

InChIKey

CMITUAXQMWSHLL-UHFFFAOYSA-N

LogP

1.0257

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 3-bromopyrazine-2-carboxylate
Methyl 3-Bromo-2-pyrazinecarboxylate
2-Pyrazinecarboxylic acid, 3-bromo-, methyl ester
Methyl 2-bromopyrazine-3-carboxylate
Pyrazinecarboxylic acid, 3-bromo-, methyl ester
3-Bromo-pyrazine-2-carboxylic acid Methyl ester
3-BROMOPYRAZINE-2-CARBOXYLIC ACID METHYL ESTER
KSC268I3B
methyl 3-bromopyrazinecarboxylate
CMITUAXQMWSHLL-UHFFFAOYSA-N
BCP03415
methyl 3-brompyrazine-2-carboxylate
CM0111
methyl 2-bromo-3pyrazine carboxylate
methyl 2-bro

MDL Number

MFCD08753935

Customs Code

2933990090

FAQ

What is Methyl 3-bromo-2-pyrazinecarboxylate (CAS: 51171-02-9)?

Methyl 3-bromo-2-pyrazinecarboxylate (CAS: 51171-02-9) is an organic compound characterized by its chemical formula C9H7BrN3O2. It is a white or off-white crystalline solid with a distinctive odor. This compound is used in various applications due to its unique functional groups and chemical properties.

What are the main uses of Methyl 3-bromo-2-pyrazinecarboxylate (CAS: 51171-02-9)?

Methyl 3-bromo-2-pyrazinecarboxylate (CAS: 51171-02-9) is primarily used in the synthesis of pharmaceuticals and dyes. It serves as a valuable precursor in organic synthesis due to its bromine-containing pyrazine ring, which is essential for certain drug development and chemical research applications.

Is Methyl 3-bromo-2-pyrazinecarboxylate (CAS: 51171-02-9) safe?

Methyl 3-bromo-2-pyrazinecarboxylate (CAS: 51171-02-9) requires cautious handling due to its bromine content and corrosive nature. It should be used in well-ventilated areas and with proper personal protective equipment (PPE) such as gloves and goggles. Direct contact with skin and eyes should be avoided, and accidental ingestion or inhalation must be prevented.

How should Methyl 3-bromo-2-pyrazinecarboxylate (CAS: 51171-02-9) be stored?

Methyl 3-bromo-2-pyrazinecarboxylate (CAS: 51171-02-9) should be stored in a cool, dry place, away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent moisture absorption. The storage area should have good ventilation to minimize the risk of accumulation of flammable gases and to ensure the safety of personnel handling the compound.