107866-54-6

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107866-54-6 Structure

Identification	Back Directory
[Name] 1-ACETYL-1H-1,2,3-TRIAZOLO[4,5-B]PYRIDINE
[CAS] 107866-54-6
[Synonyms] Acetyltriazolopyridine 1-ACETYL-1H-1,2,3-TRIAZOLO[4,5-B]PYRIDINE 1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine > 1-(1H-[1,2,3]Triazolo[4,5-b]pyridin-1-yl)ethanone 1H-1,2,3-Triazolo[4,5-b]pyridine, 1-acetyl- (9CI) Ethanone, 1-(1H-1,2,3-triazolo[4,5-b]pyridin-1-yl)- 1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine
[Molecular Formula] C7H6N4O
[MDL Number] MFCD00075383
[MOL File] 107866-54-6.mol
[Molecular Weight] 162.15

Chemical Properties	Back Directory
[Melting point ] 116-118 °C(lit.)
[Boiling point ] 324.0±34.0 °C(Predicted)
[density ] 1.48±0.1 g/cm3(Predicted)
[storage temp. ] Inert atmosphere,Room Temperature
[form ] powder to crystal
[pka] 0.17±0.30(Predicted)
[color ] White to Almost white
[InChI] 1S/C7H6N4O/c1-5(12)11-6-3-2-4-8-7(6)9-10-11/h2-4H,1H3
[InChIKey] SDYATKOQVBKTLQ-UHFFFAOYSA-N
[SMILES] CC(=O)n1nnc2ncccc12

Safety Data	Back Directory
[Hazard Codes ] Xi
[Risk Statements ] 36/37/38
[Safety Statements ] 26-37/39
[WGK Germany ] 3
[HS Code ] 2933998090
[Storage Class] 11 - Combustible Solids
[Hazard Classifications] Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Hazard Information	Back Directory
[Uses] Reactant for: Solid-phase synthesis of carpanone-based inhibitors of exocytosis from Golgi apparatus Preparation selective cyclooxygenase-2 (COX-2) inactivators Acetylation of amines
[reaction suitability] reaction type: C-C Bond Formation

Spectrum Detail	Back Directory
[Spectrum Detail] 1-ACETYL-1H-1,2,3-TRIAZOLO[4,5-B]PYRIDINE(107866-54-6)¹HNMR 1-ACETYL-1H-1,2,3-TRIAZOLO[4,5-B]PYRIDINE(107866-54-6)¹³CNMR 1-ACETYL-1H-1,2,3-TRIAZOLO[4,5-B]PYRIDINE(107866-54-6)Raman 1-ACETYL-1H-1,2,3-TRIAZOLO[4,5-B]PYRIDINE(107866-54-6)IR

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