1-Iodo-3-nitrobenzene

CAS: 645-00-1

Ref. TR-I715615

Product Information

• Name: 1-Iodo-3-nitrobenzene
• Synonyms: 3-Iodo-1-nitrobenzene, 3-Iodonitrobenzene, 3-Nitro-1-iodobenzene, 3-Nitroiodobenzene, 3-Nitrophenyl Iodide, NSC 3538, m-Iodonitrobenzene, m-Nitroiodobenzene, m-Nitrophenyl Iodide, 3-Nitrophenyl iodide, Benzene, 1-iodo-3-nitro-, m-Nitrophenyl iodide
• CAS: 645-00-1

Description

Applications 1-Iodo-3-nitrobenzene is a reactant used int he synthesis of Vismodegib (V674700), an, antineoplastic drug that targets the Hedgehog (Hh) pathway. Inhibition of the Hh signaling may be effective in the treatment and prevention of many types of human cancers.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Cao, M., et. al.: Chem. Papers, 68, 1408 (2014); Gupta, S. et al.: Ther. Advances in Med. Oncology 2,237(2010)

• Brand: TRC

Chemical properties

• Molecular weight: 249.01
• Formula: C₆H₄INO₂
• Color/Form: Neat
• InChI: InChI=1S/C6H4INO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H
• InChI key: InChIKey=OBQFYRYCMDREFB-AKIFATBCSA-N
• SMILES: O=C1[C@H](CC[C@H](O)c2ccccc2F)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1