Benzene, 2-chloro-5-methyl-1,3-dinitro-


Chemical Name: Benzene, 2-chloro-5-methyl-1,3-dinitro-
CAS Number: 5264-65-3
Product Number: AG00DD45(AGN-PC-0JLROM)
Synonyms:
MDL No:
Molecular Formula: C7H5ClN2O4
Molecular Weight: 216.5786

Identification/Properties


Computed Properties
Molecular Weight:
216.577g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
215.994g/mol
Monoisotopic Mass:
215.994g/mol
Topological Polar Surface Area:
91.6A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
225
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


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Chemical Structure



2-Chloro-5-methyl-1,3-dinitrobenzene, also known as nitrochlorobenzene, is a versatile compound widely used in chemical synthesis. This compound serves as a valuable building block in the preparation of various organic compounds due to its unique reactivity and functional groups. In chemical synthesis, 2-Chloro-5-methyl-1,3-dinitrobenzene is commonly used as a precursor in the production of pesticides, pharmaceuticals, dyes, and other specialty chemicals. Its nitro and chloro functional groups can undergo a variety of reactions such as nucleophilic substitution, reduction, and aromatic substitution to introduce different substituents and create complex organic molecules. Furthermore, this compound is utilized as an intermediate in the synthesis of dyes and pigments, where its aromatic nature and electron-withdrawing groups play a crucial role in determining the final color and properties of the dye. Its unique structure allows for the formation of intricate molecular structures that are essential in the development of various industrial and research chemicals. Overall, 2-Chloro-5-methyl-1,3-dinitrobenzene is a key component in the toolkit of synthetic chemists, enabling the creation of diverse organic compounds with tailored properties and functionalities for a wide range of applications.