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104619-51-4

104619-51-4 Structure

104619-51-4 Structure
IdentificationBack Directory
[Name]

DI(1H-IMIDAZOL-1-YL)METHANIMINE
[CAS]

104619-51-4
[Synonyms]

EOS-60817
Di(1-iMidazolyl)MethaniMine
di(imidazol-1-yl)methanimine
Di(1H-imidazol-2-yl)methanimine
DI(1H-IMIDAZOL-1-YL)METHANIMINE
C,C-di(imidazol-1-yl)methaneimine
1,1'-Carbonimidoylbis-1H-imidazole
C-(Di-iMidazol-1-yl)-MethyleneaMine
1,1-Di(1H-imidazol-1-yl)methanimine
1H-IMidazole, 1,1'-carboniMidoylbis-
1-(1H-imidazole-1-carboximidoyl)-1H-imidazole
[EINECS(EC#)]

1308068-626-2
[Molecular Formula]

C7H7N5
[MDL Number]

MFCD10699388
[MOL File]

104619-51-4.mol
[Molecular Weight]

161.16
Chemical PropertiesBack Directory
[Melting point ]

103-104℃
[Boiling point ]

355℃
[density ]

1.38
[Fp ]

169℃
[storage temp. ]

Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
[pka]

4.19±0.70(Predicted)
[Appearance]

White to off-white Solid
[InChI]

InChI=1S/C7H7N5/c8-7(11-3-1-9-5-11)12-4-2-10-6-12/h1-6,8H
[InChIKey]

FKGQRXQOODICAT-UHFFFAOYSA-N
[SMILES]

C(N1C=NC=C1)(N1C=NC=C1)=N
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P280-P304+P340+P312-P305+P351+P338-P337+P313
[HS Code ]

2933299090
Spectrum DetailBack Directory
[Spectrum Detail]

DI(1H-IMIDAZOL-1-YL)METHANIMINE(104619-51-4)1HNMR
Hazard InformationBack Directory
[Synthesis]

Imidazole

288-32-4

Cyanogen bromide

506-68-3

DI(1H-IMIDAZOL-1-YL)METHANIMINE

104619-51-4

Cyanogen bromide (22.5 g, 212 mmol) was slowly added to a solution of 1H-imidazole (42 g, 617 mmol) in dichloromethane (1 L) and the reaction mixture was heated to reflux for 30 min. After completion of the reaction, it was cooled to room temperature and white solid was observed to precipitate. The solid was separated by filtration. The filtrate was concentrated under reduced pressure to about 100 mL and subsequently allowed to stand in a refrigerator for 3 days to promote crystallization. The precipitated solid was collected by filtration to give the final bis(1H-imidazol-1-yl)methanimine (8 g, 49.6 mmol, 8% yield).

[References]

[1] Patent: US2012/149718, 2012, A1. Location in patent: Page/Page column 35
[2] Journal of Organic Chemistry, 2002, vol. 67, # 21, p. 7553 - 7556
[3] Journal of Heterocyclic Chemistry, 2003, vol. 40, # 1, p. 191 - 193
[4] Chemical Communications, 2014, vol. 50, # 91, p. 14257 - 14260
[5] Patent: WO2012/85586, 2012, A1. Location in patent: Page/Page column 66; 68
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