CAS 777-59-3

3-(4-fluorophenyl)-1-methyl-1-nitrosourea

Description:

3-(4-Fluorophenyl)-1-methyl-1-nitrosourea, with the CAS number 777-59-3, is a chemical compound that belongs to the class of nitrosoureas, which are known for their alkylating properties. This compound features a nitrosourea functional group, which is characterized by the presence of a nitroso group (–NO) and a urea moiety (–NH–CO–NH2). The presence of the 4-fluorophenyl group contributes to its unique chemical behavior and potential biological activity. Nitrosoureas are often used in medicinal chemistry, particularly in cancer treatment, due to their ability to cross-link DNA and inhibit cell division. The fluorine atom in the phenyl ring can enhance the lipophilicity and metabolic stability of the compound. However, nitrosoureas can also be toxic and are classified as potential carcinogens. As with many chemical substances, handling requires appropriate safety measures due to their reactive nature and potential health hazards.

Formula: C₈H₈FN₃O₂

InChI: InChI=1/C8H8FN3O2/c1-12(11-14)8(13)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,13)

SMILES: CN(C(=O)Nc1ccc(cc1)F)N=O

Synonyms:

• urea, N'-(4-fluorophenyl)-N-methyl-N-nitroso-
• 3-(4-Fluorophenyl)-1-methyl-1-nitrosourea