Phenol, 3-iodo-4-nitro-


Chemical Name: Phenol, 3-iodo-4-nitro-
CAS Number: 50590-07-3
Product Number: AG0037SN(AGN-PC-0BKES8)
Synonyms:
MDL No:
Molecular Formula: C6H4INO3
Molecular Weight: 265.0053

Identification/Properties


Computed Properties
Molecular Weight:
265.006g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
264.924g/mol
Monoisotopic Mass:
264.924g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
158
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



3-Iodo-4-nitrophenol is a versatile compound widely used in chemical synthesis for its unique properties. This compound serves as a key building block in the synthesis of various pharmaceuticals, agrochemicals, and specialty chemicals due to its ability to undergo a variety of important reactions. In organic synthesis, 3-Iodo-4-nitrophenol can participate in nucleophilic substitution, reduction, and coupling reactions to introduce functional groups or construct complex molecular structures. Its nitro and iodine substituents make it a powerful electrophile and nucleophile, allowing for diverse transformations in synthetic pathways. Additionally, the presence of the phenolic hydroxyl group enables 3-Iodo-4-nitrophenol to facilitate hydrogen bonding interactions, making it a key intermediate in the synthesis of bioactive compounds and coordination complexes. Its utility in chemical synthesis extends to the preparation of dyes, polymers, and other specialty chemicals, making it a valuable tool for organic chemists in various industries.