4(3H)-Quinazolinone, 2-(chloromethyl)-3-methyl-


Chemical Name: 4(3H)-Quinazolinone, 2-(chloromethyl)-3-methyl-
CAS Number: 199114-62-0
Product Number: AG002BWJ(AGN-PC-0MJUMT)
Synonyms:
MDL No:
Molecular Formula: C10H9ClN2O
Molecular Weight: 208.6443

Identification/Properties


Computed Properties
Molecular Weight:
208.645g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
208.04g/mol
Monoisotopic Mass:
208.04g/mol
Topological Polar Surface Area:
32.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
277
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-H412-H319
Precautionary Statements:
P305+P351+P338-P273
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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Chemical Structure



2-(Chloromethyl)-3-methylquinazolin-4(3H)-one is a versatile compound commonly utilized in chemical synthesis as a key building block for the preparation of various pharmaceuticals, agrochemicals, and materials. This compound serves as a valuable intermediate in the synthesis of complex organic molecules due to its reactivity and functional groups, making it an essential component in the production of specialized chemicals. In organic synthesis, 2-(Chloromethyl)-3-methylquinazolin-4(3H)-one can undergo various transformations such as nucleophilic substitutions, palladium-catalyzed coupling reactions, and oxidative transformations to introduce different functional groups or modify its structure, allowing for the creation of diverse chemical compounds with specific properties and applications. This compound plays a crucial role in the development of novel drug candidates, herbicides, and advanced materials, highlighting its significance in the field of chemical synthesis.