| Identification | More | [Name]
N,N'-DIMETHYL-N,N'-DIPHENYLUREA | [CAS]
611-92-7 | [Synonyms]
1,3-DIMETHYL-1,3-DIPHENYLUREA
METHYL CENTRALITE
N,N-DIMETHYL CARBANILIDE
N,N'-DIMETHYLCARBANILIDE
N,N'-DIMETHYL-N,N'-DIPHENYLUREA
Carbanilide, N,N'-dimethyl-
Centralit II
Centralite II
Centralite-2
Zentralin
Zentralit I
Zentralit II
sym-Dimethyldiphenylurea
N,N'-Dimethyl-N,N'-diphenylharnstoff | [EINECS(EC#)]
210-283-4 | [Molecular Formula]
C15H16N2O | [MDL Number]
MFCD00025642 | [Molecular Weight]
240.3 | [MOL File]
611-92-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
120-122 °C(lit.) | [Boiling point ]
383.02°C (rough estimate) | [density ]
1.0611 (rough estimate) | [vapor pressure ]
0.001Pa at 25℃ | [refractive index ]
1.6390 (estimate) | [storage temp. ]
2-8°C | [solubility ]
Dichloromethane (Slightly), DMSO (Slightly), Methanol (Very Slightly) | [form ]
Solid | [pka]
0.68±0.50(Predicted) | [color ]
White to Pale Green | [Water Solubility ]
76.42mg/L at 20℃ | [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 | [InChIKey]
ADCBKYIHQQCFHE-UHFFFAOYSA-N | [SMILES]
N(C)(C1=CC=CC=C1)C(N(C)C1=CC=CC=C1)=O | [LogP]
2.82 at 25℃ | [CAS DataBase Reference]
611-92-7(CAS DataBase Reference) | [EPA Substance Registry System]
Urea, N,N'-dimethyl-N,N'-diphenyl- (611-92-7) |
| Safety Data | Back Directory | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
2
| [RTECS ]
FE0600000
|
| Hazard Information | Back Directory | [Chemical Properties]
White to grey crystalline powder. Soluble in water, alcohol, acetone, and chloroform. | [Uses]
Detection of Methyl Centralite (MC) as gunshot residues (GSR) has been developed. | [Application]
1,3-Dimethyl-1,3-diphenylurea can be used as a stabilizer for smokeless powder, explosives, nitrates and smokeless fuels, as well as intermediates for fine chemicals. | [Description]
1,3-Dimethyl-1,3-diphenylurea for Stabilizer and propellant, and production of intermediates of organic chemicals. | [Preparation]
N,N'-Dimethyl-N,N'-diphenylurea also known as 1,3-Dimethyl-1,3-diphenylurea,it can be prepared by reacting methylaniline and phosgene. | [Flammability and Explosibility]
Notclassified | [Synthesis]
A 10 mL Schlenk tube equipped with a magnetic stirring bar was charged with arylcarbamoyl chlorides (0.2 mmol, 1.0 equiv), and KHCO3 (40 mg, 0.4 mmol), and then Pd(PPh3)4 (0.01 mmol, 11.56 mg) were added. Finally, 1,4-dioxane (1.0 mL) was added to the mixture via syringe at room temperature under N2. The tube was sealed and put into a preheated oil bath a 100 °C for 48 h. The mixture was cooled to room temperature, quenched with water (5 mL), and diluted with ethyl acetate (5 mL). The layers were separated, and the aqueous layer was extracted with 2 × 5 mL of ethyl acetate. The combined organic extracts were dried over anhydrous sodium sulfate, filtered, and concentrated in vacuo. The crude product of 1,3-dimethyl-1,3-diphenylurea was then purified by flash chromatography on silica gel (H), eluting with 30-35% ethylacetate/petroleum ether. | [storage]
Store in original tightly closed containers in a dry, cool and well-ventilated area. | [References]
[1] Ricardo J. González. “Detection of organic gunshot residues from human hands using direct sample analysis-time of flight-mass spectrometry.” Journal of Mass Spectrometry 57 5 (2022).
[2] Patrick W. Fedick , Ryan M. Bain. “Swab touch spray mass spectrometry for rapid analysis of organic gunshot residue from human hand and various surfaces using commercial and fieldable mass spectrometry systems.” Forensic Chemistry 5 (2017): Pages 53-57.
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