Benzene, 1-(isocyanatomethyl)-2-methoxy-


Chemical Name: Benzene, 1-(isocyanatomethyl)-2-methoxy-
CAS Number: 93489-08-8
Product Number: AG003HJW(AGN-PC-0LDC5S)
Synonyms:
MDL No:
Molecular Formula: C9H9NO2
Molecular Weight: 163.1733

Identification/Properties


Properties
Storage:
2-8℃;Keep in dry area;
Computed Properties
Molecular Weight:
163.176g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
163.063g/mol
Monoisotopic Mass:
163.063g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
175
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


NMR Spectrum


Other Analytical Data


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Chemical Structure



2-Methoxybenzyl isocyanate is a versatile compound extensively utilized in chemical synthesis for its reactivity and functional group compatibility. As a key building block, this compound is predominantly employed in the preparation of various organic intermediates and complex molecules. In organic chemistry, 2-Methoxybenzyl isocyanate serves as an essential reagent in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals due to its ability to undergo diverse chemical transformations. Due to its unique structure and properties, 2-Methoxybenzyl isocyanate plays a crucial role in the development of innovative chemical processes and the production of valuable compounds in the field of synthetic chemistry.