2-(6-Chloropyrazin-2-yl)acetic acid

Basic Information

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CAS Number

930798-25-7

Molecular Formula

C6H5ClN2O2

Molecular Weight

172.57 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

Basic Physical Properties

Boiling Point

317.2°C at 760 mmHg

Density

1.497

Flash Point

145.6°C

Refractive Index

1.581

SMILES

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C1=C(N=C(C=N1)Cl)CC(=O)O

InChI

InChI=1S/C6H5ClN2O2/c7-5-3-8-2-4(9-5)1-6(10)11/h2-3H,1H2,(H,10,11)

InChIKey

GKCGKFUOTLQOGO-UHFFFAOYSA-N

LogP

0.7570999999999999

Topological Polar Surface Area

63.08 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

154

Synonyms & References

English

(6-Chloropyrazin-2-yl)acetic acid
2-(6-Chloropyrazin-2-yl)acetic acid
2-Pyrazineacetic acid,6-chloro-
6-chloro-2-Pyrazineacetic acid
QC-6792
6-Chloro-2-pyrazineacetic acid (ACI)
2-(6-chloropyrazin-2-yl)acetic acid
CS-W021420
J-501667
930798-25-7
GKCGKFUOTLQOGO-UHFFFAOYSA-N
DB-079479
(6-CHLOROPYRAZIN-2-YL)ACETIC ACID
SCHEMBL5302445
2-(6-chloropyrazin-2-yl)aceticacid
MFCD09907855
DTXSID30581695
AKOS006312733

MDL Number

MFCD09907855

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 2-(6-Chloropyrazin-2-yl)acetic acid (CAS: 930798-25-7)?

2-(6-Chloropyrazin-2-yl)acetic acid (CAS: 930798-25-7) is a white crystalline solid with a molecular weight of approximately 225.02 g/mol. It is poorly water-soluble, with a solubility of less than 1 g/L at 25°C. The compound exhibits acidity and can undergo substitution reactions due to the presence of the chloro and carboxylic acid functionalities.

How is 2-(6-Chloropyrazin-2-yl)acetic acid (CAS: 930798-25-7) typically synthesized?

2-(6-Chloropyrazin-2-yl)acetic acid is typically synthesized via the reaction of 6-chloropyrazine-2-carbaldehyde with acetylene followed by hydrolysis. The synthesis involves the use of palladium catalysts for the alkylation step, ensuring high selectivity and yield. Detailed reaction conditions and safety precautions are outlined in the literature.

What industries use 2-(6-Chloropyrazin-2-yl)acetic acid (CAS: 930798-25-7)?

2-(6-Chloropyrazin-2-yl)acetic acid (CAS: 930798-25-7) is primarily used in the pharmaceutical industry for the synthesis of certain active pharmaceutical ingredients (APIs). It also finds applications in the development of sensors and as a precursor in the synthesis of other organic compounds.

What precautions should be taken when handling 2-(6-Chloropyrazin-2-yl)acetic acid (CAS: 930798-25-7)?

When handling 2-(6-Chloropyrazin-2-yl)acetic acid (CAS: 930798-25-7), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up using appropriate absorbent materials, and disposal should be done in accordance with local regulations. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.