1,3-Dimethyl-1,3-diphenylurea

한글명: 1,3-Dimethyl-1,3-diphenylurea

카스 번호611-92-7

상품명: 1,3-Dimethyl-1,3-diphenylurea

CBNumberCB9218833

분자식C15H16N2O

포뮬러 무게240.3

MOL 파일611-92-7.mol

화학적 성질

녹는점	120-122 °C(lit.)
끓는 점	383.02°C (rough estimate)
밀도	1.0611 (rough estimate)
증기압	0.001Pa at 25℃
굴절률	1.6390 (estimate)
저장 조건	2-8°C
용해도	디클로로메탄(약간 용해됨), DMSO(약간 용해됨), 메탄올(매우 약간)
물리적 상태	고체
물리적 상태	단단한 모양
산도 계수 (pKa)	0.68±0.50(Predicted)
색상	흰색에서 연한 녹색
수용성	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 데이터베이스	611-92-7(CAS DataBase Reference)
EPA	Urea, N,N'-dimethyl-N,N'-diphenyl- (611-92-7)

위험 및 안전 성명

안전지침서	22-24/25
WGK 독일	2
RTECS 번호	FE0600000

그림문자(GHS)

1,3-Dimethyl-1,3-diphenylurea 화학적 특성, 용도, 생산

화학적 성질
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.
용도
Detection of Methyl Centralite (MC) as gunshot residues (GSR) has been developed.
개요
1,3-Dimethyl-1,3-diphenylurea for Stabilizer and propellant, and production of intermediates of organic chemicals.
용도
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].
제조 방법
1,3-Dimethyl-1,3-diphenylurea can be synthesized through the reaction of methylaniline and phosgene.
주요 응용
Centralite II can be used as a stabilizer for smokeless powder, explosives, nitrates and smokeless fuels, as well as intermediates for fine chemicals.
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.
저장
Store in original tightly closed containers in a dry, cool and well-ventilated area.

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