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41864-22-6

41864-22-6 Structure

41864-22-6 Structure
IdentificationBack Directory
[Name]

1,1'-Carbonyl-di(1,2,4-triazole)
[CAS]

41864-22-6
[Synonyms]

CDT
-di(1,2,4-triazoL
1,1'-Carbonyl-di-(1
Carbonyldi(1,2,4-triazole)
1,1'-CARBONYLDI(1,2,4-TRIAZOLE)
1,1'-Carbonylbis(1,2,4-triazole)
N,N'-Carbonyl-di-(1,2,4-triazole)
di(1H-1,2,4-triazol-1-yl)Methanone
Bis(1H-1,2,4-triazol-1-yl)methanone
1,1'-Carbonyldi(1,2,4-triazole) >
1,1'-Carbonylbis(1,2,4-triazole) CDT
Methanone, bis(1H-1,2,4-triazol-1-yl)-
CDT ( N,N'-Carbonyl-di-(1,2,3-tiazole))
1,1'-Carbonyldi(1,2,4-triazole)≥ 98% (Titration)
1H-1,2,4-triazol-5-yl(3H-1,2,4-triazol-5-yl)methanone
1,1'-Carbonyl-di-(1,2,4-triazole) technical, >=90% (T)
[Molecular Formula]

C5H4N6O
[MDL Number]

MFCD00043399
[MOL File]

41864-22-6.mol
[Molecular Weight]

164.12
Chemical PropertiesBack Directory
[Melting point ]

145-150 °C
[Boiling point ]

429.1±28.0 °C(Predicted)
[density ]

1.75±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Chloroform (Slightly), DMSO (Sparingly, Heated)
[form ]

Solid
[pka]

-0.26±0.10(Predicted)
[color ]

White to Off-White
[BRN ]

10250
[Stability:]

Hygroscopic, Moisture Sensitive
[Major Application]

peptide synthesis
[InChI]

InChI=1S/C5H4N6O/c12-5(10-3-6-1-8-10)11-4-7-2-9-11/h1-4H
[InChIKey]

YHNUDLCUIKMNSN-UHFFFAOYSA-N
[SMILES]

C(N1C=NC=N1)(N1C=NC=N1)=O
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

63-22-41-52/53-62-61
[Safety Statements ]

22-26-36/37/39-61-36/39
[WGK Germany ]

3
[F ]

10-21
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Repr. 2
Hazard InformationBack Directory
[Chemical Properties]

1,1'-Carbonyl-di(1,2,4-triazole) is beige powder
[Uses]

1,1'-Carbonyl-di(1,2,4-triazole) is used in epoxidation reactions in organic synthesis. It is useful in preparing acyl triazolides from carboxylic acids.
[reaction suitability]

reaction type: Carbonylations
[Synthesis]

1,1'-Carbonyl-di(1,2,4-triazole) is preparate from triazole and phosgene in THF, in the presence of one equivalent of pyridine (80% yield)[1-2].
[Precautions]

It may be stored in a desiccator over P2O5 at room temperature for many months without apparent decomposition.
[References]

1. Beyerman, H. C.; Van Den Brink, W. M. RTC 1961, 80, 1372.
2. Gais, H.-J. AG(E) 1977, 16, 244.
Spectrum DetailBack Directory
[Spectrum Detail]

1,1'-Carbonyl-di(1,2,4-triazole)(41864-22-6)1HNMR
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