Pyrazinecarboxylic acid, 3-chloro-


Chemical Name: Pyrazinecarboxylic acid, 3-chloro-
CAS Number: 27398-39-6
Product Number: AG003JBK(AGN-PC-0K63TR)
Synonyms:
MDL No: MFCD01318438
Molecular Formula: C5H3ClN2O2
Molecular Weight: 158.5425

Identification/Properties


Properties
MP:
116.5-118.5°C
BP:
317 °C at 760 mmHg.
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
158.541g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
157.988g/mol
Monoisotopic Mass:
157.988g/mol
Topological Polar Surface Area:
63.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
142
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


Other Analytical Data


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Chemical Structure



3-Chloropyrazine-2-carboxylic acid is a versatile compound that finds wide application in chemical synthesis. One of its key uses is as a building block in the synthesis of pharmaceutical and agrochemical compounds. Due to the presence of the chloropyrazine moiety, this compound can participate in various reactions such as nucleophilic substitution, Suzuki coupling, and cross-coupling reactions. These reactions enable the incorporation of the 3-chloropyrazine-2-carboxylic acid moiety into more complex molecules, allowing for the creation of new drugs, pesticides, and other biologically active compounds. Additionally, this compound can also be utilized in the preparation of advanced materials and specialty chemicals through further modification and derivatization processes.