77585-88-7

Basic information

• Product Name: 3-(3-chlorophenyl)-1-methyl-1-phenylurea
• Synonyms: Urea, N'-(3-chlorophenyl)-N-methyl-N-phenyl-
• CAS NO: 77585-88-7
• Molecular Formula: C₁₄H₁₃ClN₂O
• Molecular Weight: 260.7188
• EINECS: 667-219-7
• Mol File: 77585-88-7.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 436.5°C at 760 mmHg
• Flash Point: 217.8°C
• Density: 1.301g/cm³
• Vapor Pressure: 8.06E-08mmHg at 25°C
• Refractive Index: 1.668
• CAS DataBase Reference: 3-(3-chlorophenyl)-1-methyl-1-phenylurea(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(3-chlorophenyl)-1-methyl-1-phenylurea(77585-88-7)
• EPA Substance Registry System: 3-(3-chlorophenyl)-1-methyl-1-phenylurea(77585-88-7)

Safety Data

• Hazardous Substances Data: 77585-88-7(Hazardous Substances Data)

Upstream product

• 100-61-8 N-methylaniline 
• 591-50-4 iodobenzene 
• 2909-38-8 m-chlorophenyl isocyanate 

Relevant articles and documents

2,2,2-Trifluroenthanol promoted synthesis of unsymmetrical ureas from dioxazolones and amines via tandem lossen rearrangement/condensation process

A 2,2,2-trifluroenthanol (TFE) promoted synthesis of unsymmetric ureas was described. This approach enabled the construction of a variety of ureas from the readily prepared and easy-to-handle dioxazolones and amines via tandem Lossen rearrangement/condensation process. The reaction featured mild conditions for the urea synthesis under metal-free conditions, which was successively applied in the scale-up synthesis of herbicides Monuro and Isoproturon.

INFRARED SPECTROSCOPIC AND CONFORMATIONAL STUDIES OF TRISUBSTITUTED UREAS CONTAINING CHLOROPHENYL GROUPS

The IR spectra, in the ν(N-H) region, of trisubstituted ureas R2UPhCl and RPhUPhCl containing a chlorophenyl group have been studied in order to examine the effects of the introduced chlorine atom.The out-trans-cis isomerism about the NH-CO rotational axis is discussed in reation to steric effect of the R2 group, Ph-Ph interaction and inter- and intra-molecular hydrogen bonding.In dilute solution, R2UPhCl exists in the trans or the out form, and RPhUPhCl in the cis form. o-Chlorophenyl derivatives show a monomeric ν(N-H) band at a wavenumber lower than that of the other derivatives and no associated ν(N-H) bands in concentrated or even in saturated solutions.Some of the derivatives are found to be in the same form in the solid state as in solution due to the retention of intra-molecular NH...Cl hydrogen bonding.