3-Chloro-2-pyrazinecarboxylic acid

Basic Information

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CAS Number

27398-39-6

Molecular Formula

C5H3ClN2O2

Molecular Weight

158.54 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

Yellow to Brown Solid

Boiling Point

317°C at 760 mmHg

Flash Point

145.5℃

SMILES

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C1=CN=C(C(=N1)C(=O)O)Cl

InChI

InChI=1S/C5H3ClN2O2/c6-4-3(5(9)10)7-1-2-8-4/h1-2H,(H,9,10)

InChIKey

PMRPVXLESNMKLG-UHFFFAOYSA-N

LogP

0.8281999999999998

Topological Polar Surface Area

63.08 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

142

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

Z1201620959
3-Chloro-2-pyrazine-carboxylic acid
FT-0638700
2-Chloropyrazine-3-carboxylic acid
PMRPVXLESNMKLG-UHFFFAOYSA-N
Pyrazinecarboxylic acid, 3-chloro-
Q-102265
SCHEMBL569230
DTXSID10363557
AM20070337
PB23222
CS-W004253
AC-9252
3-chloro-2-pyrazinecarboxylic acid
3-chloro-pyrazine-2-carboxylic acid
3-chloropyrazine-2-carboxylicacid
AKOS002666583
TS-02110
3-chloropyrazine-2-carboxylic Acid
A5320
SY013464
CHEMBL5184581
BP-11738
MFCD01318438
27398-39-6
BCP26944
EN300-118597
3-Chloropyrazine-2-carboxylic acid
3-Chloro-2-pyrazinecarboxylic Acid
3-Chloro-2-Pyrazine-Carboxylic Acid
2-chloropyrazine-3-carboxylic acid

MDL Number

MFCD01318438

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 3-Chloro-2-pyrazinecarboxylic acid (CAS: 27398-39-6)?

3-Chloro-2-pyrazinecarboxylic acid is a white crystalline solid with a molecular weight of 161.57 g/mol. It is slightly soluble in water and ethanol. Chemically, it is stable under normal conditions but reacts with strong bases to form salts. It is an important intermediate in the synthesis of various organic compounds.

How is 3-Chloro-2-pyrazinecarboxylic acid (CAS: 27398-39-6) typically synthesized?

3-Chloro-2-pyrazinecarboxylic acid is commonly synthesized via the chlorination of 2-pyrazinecarboxylic acid. This process involves the reaction of 2-pyrazinecarboxylic acid with thionyl chloride in the presence of a base such as pyridine. The yield is typically around 70-80%, with good selectivity toward the monochlorinated product.

What industries use 3-Chloro-2-pyrazinecarboxylic acid (CAS: 27398-39-6)?

3-Chloro-2-pyrazinecarboxylic acid is widely used in the pharmaceutical industry as an intermediate in the synthesis of certain drugs. It also finds applications in the chemical industry, particularly in the production of herbicides and dyes. Additionally, it is used in the development of sensors and as a component in some polymer formulations.

What precautions should be taken when handling 3-Chloro-2-pyrazinecarboxylic acid (CAS: 27398-39-6)?

When handling 3-Chloro-2-pyrazinecarboxylic acid, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight and incompatible materials. In case of spillage, it should be immediately cleaned up using appropriate spill control materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.