3-Pyridinecarboxylic acid, 2-chloro-, 1,1-dimethylethyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 2-chloro-, 1,1-dimethylethyl ester
CAS Number: 232951-83-6
Product Number: AG002MSS(AGN-PC-0NHGOV)
Synonyms:
MDL No:
Molecular Formula: C10H12ClNO2
Molecular Weight: 213.6608

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
213.661g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
213.056g/mol
Monoisotopic Mass:
213.056g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
213
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



The tert-Butyl 2-chloronicotinate is commonly used as a versatile building block in chemical synthesis. It serves as a valuable intermediate in the production of various pharmaceuticals, agrochemicals, and functional materials. This compound is known for its ability to undergo smooth and efficient transformations, facilitating the synthesis of complex organic molecules. tert-Butyl 2-chloronicotinate can be utilized in the preparation of heterocyclic compounds, which are frequently found in drug discovery and material science research. Its unique structure and reactivity make it a valuable tool for organic chemists seeking to access novel compounds with diverse applications.