The N,N'-Dimethyl-N,N'-diphenylurea, also known as Carbanilide, N,N'-dimethyl-, is the organic compound with the formula C15H16N2O. This chemical belongs to the product categories of Industrial/Fine Chemicals; Carbonyl Compounds; Organic Building Blocks; Ureas. Its EINECS registry number is 210-283-4. With the CAS registry number 611-92-7, its IUPAC name is called 1,3-dimethyl-1,3-diphenylurea. When you are using this chemical, please be cautious about it. You should not breathe its dust. What's more, you must avoid contact it with skin and eyes. This chemical can be used as stabilizing agent for smokeless powder, explosive, Nitrate and smokeless fuel. It can also be used as intermediates of fine chemical.
Physical properties of N,N'-Dimethyl-N,N'-diphenylurea: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 2.52; (3)ACD/LogD (pH 7.4): 2.52; (4)ACD/BCF (pH 5.5): 48.61; (5)ACD/BCF (pH 7.4): 48.61; (6)ACD/KOC (pH 5.5): 561.02; (7)ACD/KOC (pH 7.4): 561.03; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.639; (11)Molar Refractivity: 74.48 cm3; (12)Molar Volume: 206.9 cm3; (13)Surface Tension: 50.5 dyne/cm; (14)Density: 1.161 g/cm3; (15)Flash Point: 142.6 °C; (16)Enthalpy of Vaporization: 59.46 kJ/mol; (17)Boiling Point: 350 °C at 760 mmHg; (18)Vapour Pressure: 4.53E-05 mmHg at 25°C.
Preparation of N,N'-Dimethyl-N,N'-diphenylurea: this chemical can be prepared by 1,3-diphenyl-thiourea and iodomethane. This reaction will need reagents triethylbenzylammonium chloride and aq. NaOH. The reaction time is 8 hours. The yield is about 78%.
Uses of N,N'-Dimethyl-N,N'-diphenylurea: it can be used to prepare N,N'-dimethyl-N,N'-bis-(4-nitro-phenyl)-urea. This reaction will need reagents water and nitric acid.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN(C1=CC=CC=C1)C(=O)N(C)C2=CC=CC=C2
(2)InChI: InChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3
(3)InChIKey: ADCBKYIHQQCFHE-UHFFFAOYSA-N
The toxicity data is as follows:
Organism |
Test Type |
Route |
Reported Dose (Normalized Dose) |
Effect |
Source |
rat |
LDLo |
oral |
500mg/kg (500mg/kg) |
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Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 260, 1947. |