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ChemicalBook > Product Catalog >Catalyst and Auxiliary > 1,3-Dimethyl-1,3-diphenylurea

1,3-Dimethyl-1,3-diphenylurea

1,3-Dimethyl-1,3-diphenylurea Structure
CAS No.
611-92-7
Chemical Name:
1,3-Dimethyl-1,3-diphenylurea
Synonyms
Centralite II;Zentralin;Zentralit I;Centralite-2;Centralit II;Zentralit II;Centralite ll;METHYL CENTRALITE;Dimethyldiphenylurea;sym-Dimethyldiphenylurea
CBNumber:
CB9218833
Molecular Formula:
C15H16N2O
Molecular Weight:
240.3
MOL File:
611-92-7.mol
Modify Date:
2024/12/18 14:15:30
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1,3-Dimethyl-1,3-diphenylurea Properties

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

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
Safety Statements  22-24/25
WGK Germany  2
RTECS  FE0600000

1,3-Dimethyl-1,3-diphenylurea Chemical Properties,Uses,Production

Chemical Properties

Centralite II, also known as 1,3-Dimethyl-1,3-diphenylurea, is a white to grey crystalline powder that is soluble in water, alcohol, acetone, and chloroform. This substance is commonly used as a burning rate moderator and stabilizer for smokeless powder, as well as a plasticizer for celluloid.

Uses

Detection of Methyl Centralite (MC) as gunshot residues (GSR) has been developed.

Description

1,3-Dimethyl-1,3-diphenylurea for Stabilizer and propellant, and production of intermediates of organic chemicals.

Preparation

1,3-Dimethyl-1,3-diphenylurea can be synthesized through the reaction of methylaniline and phosgene.

Application

Centralite II can be used as a stabilizer for smokeless powder, explosives, nitrates and smokeless fuels, as well as intermediates for fine chemicals.

Uses

1,3-Dimethyl-1,3-diphenylurea (methyl centralite) is a stabilizer in different types of ammunition. This compound is organic gunshot residue. It is the characteristic compound for which forensic analysts test determining if a person has discharged a firearm[1-2].

Synthesis

To 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 purified by flash chromatography on silica gel (H), using 30-35% ethyl acetate/petroleum ether as the eluent.

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.

1,3-Dimethyl-1,3-diphenylurea Preparation Products And Raw materials

Raw materials

Preparation Products

1,3-Dimethyl-1,3-diphenylurea Suppliers

Global( 105)Suppliers
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A.J Chemicals 91-9810153283 New Delhi, India 6100 58 Inquiry
Chongqing Hesheng Longgang Technology Co. Ltd. +86-19112191161 +86-18108377873 China 16 58 Inquiry
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A.J Chemicals 58
Chongqing Hesheng Longgang Technology Co. Ltd. 58
Shandong Juchuang Chemical Co., LTD 58
.GZ HONESTCHEM CO.,LTD 58
Shanghai Longyu Biotechnology Co., Ltd. 58
Shaanxi Dideu Medichem Co. Ltd 58
Neostar United (Changzhou) Industrial Co., Ltd. 58
SIMAGCHEM CORP 58
Hefei TNJ Chemical Industry Co.,Ltd. 58
ANHUI WITOP BIOTECH CO., LTD 58

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1,3-Dimethyl-1,3-diphenylurea Spectrum

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N,N-DIMETHYL CARBANILIDE N,N'-DIMETHYLCARBANILIDE 1,3-DIMETHYL-1,3-DIPHENYLUREA METHYL CENTRALITE N,N'-Dimethyl-N,N'-diphenylharnstoff sym-Dimethyldiphenylurea Carbanilide, N,N'-dimethyl- Centralit II Centralite-2 Zentralin Zentralit I Zentralit II N,N'-Dimethyldiphenylurea (Methyl Centralite) Methylcentralite@100 μg/mL in Acetonitrile:Methanol (50:50) Centralite II 1,3-Dimethyl-1,3-diphenylure Centralite ll N,N-DIMETHYLDIPHENYLUREA Dimethyldiphenylurea N,N'-Dimethyl-N,N'-diphenylurea N, N'-Dimethyldiphenylurea 611-92-7 C6H5NCH32CO Carbonyl Compounds Building Blocks Organic Building Blocks Ureas Industrial/Fine Chemicals Carbonyl Compounds Organic Building Blocks Ureas