1-(3,4-DICHLOROPHENYL)UREA

The Urea,N-(3,4-dichlorophenyl)-, with the CAS registry number of 2327-02-8, is also known as n'-3,4-Dichlorophenylurea. This chemical's molecular formula is C₇H₆Cl₂N₂O and molecular weight is 205.04. What's more, its IUPAC name is (3,4-Dichlorophenyl)urea.

Physical properties about the Urea,N-(3,4-dichlorophenyl)- are: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 51.5; (6)ACD/BCF (pH 7.4): 51.49; (7)ACD/KOC (pH 5.5): 584.65; (8)ACD/KOC (pH 7.4): 584.64; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.55 Å²; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 49.21 cm³; (15)Molar Volume: 133.5 cm³; (16)Surface Tension: 60.1 dyne/cm; (17)Density: 1.534 g/cm³; (18)Flash Point: 136.5 °C; (19)Enthalpy of Vaporization: 54.24 kJ/mol; (20)Boiling Point: 302.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00101 mmHg at 25 °C.

Preparation: this chemical is prepared by 1,2-Dichloro-4-isocyanato-benzene. The reaction needs reagent NH₃ and solvent Tetrahydrofuran. The reaction time is 2 h with reaction temperature of 20 °C. The yield is about 65 %.

 
Uses: it is used to produce other chemicals. For example, it is used to produce 1-Cyanoacetyl-3-(3,4-dichloro-phenyl)-urea. This reaction needs reagent Acetic anhydride. The reaction time is 3 h with reaction temperature of 60 °C. The yield is about 65 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccc(NC(=O)N)cc1Cl
(2) InChI: InChI=1/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)
(3) InChIKey: CYESCLHCWJKRKM-UHFFFAOYAB

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	> 500mg/kg (500mg/kg)		Journal of Agricultural and Food Chemistry. Vol. 21, Pg. 386, 1973. Link to PubMed