CAS 772-55-4

N-(4-Fluorophenyl)-N′-methylurea

Description:

N-(4-Fluorophenyl)-N′-methylurea, with the CAS number 772-55-4, is an organic compound characterized by its urea functional group, which consists of a carbonyl group (C=O) bonded to two nitrogen atoms. This compound features a 4-fluorophenyl group, indicating the presence of a fluorine atom attached to a phenyl ring at the para position. It is typically a white to off-white crystalline solid and is soluble in organic solvents. The presence of the fluorine atom can influence the compound's biological activity and chemical reactivity, often enhancing lipophilicity and altering pharmacokinetic properties. N-(4-Fluorophenyl)-N′-methylurea is of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential applications in drug development and as a herbicide. Its synthesis generally involves the reaction of 4-fluoroaniline with methyl isocyanate. As with many chemical substances, handling should be done with care, following appropriate safety protocols to mitigate any potential hazards associated with its use.

Formula: C₈H₉FN₂O

InChI: InChI=1S/C8H9FN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)

InChI key: InChIKey=MGVNYJAWTVSWFD-UHFFFAOYSA-N

SMILES: N(C(NC)=O)C1=CC=C(F)C=C1

Synonyms:

• Urea, 1-(p-fluorophenyl)-3-methyl-
• 1-(p-Fluorophenyl)-3-methylurea
• N-Methyl-N′-(4-fluorophenyl)urea
• Urea, N-(4-fluorophenyl)-N′-methyl-
• N-(4-Fluorophenyl)-N′-methylurea