HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine
Acetyltriazolopyridine · 1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine · 1-Acetyl-1H-1,2,3-triazolo[4,5-b]pyridine >1H-1,2,3-Triazolo[4,5-b]pyridine, 1-acetyl- (9CI) · 1-(1H-[1,2,3]Triazolo[4,5-b]pyridin-1-yl)ethanone · 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 structure](/img/chemical/702889.png)
Identifiers & Physical Properties
| CAS No. | 107866-54-6 |
|---|---|
| Molecular formula | C7H6N4O |
| Average molar mass | 162.15 g/mol |
| Monoisotopic mass | 162.05416081 g/mol |
| SMILES | CC(=O)n1nnc2ncccc21 |
| InChIKey | SDYATKOQVBKTLQ-UHFFFAOYSA-N |
| PubChem CID | 702889 |
| EC No. | 624-046-1 |
| DTXSID | DTXSID60351540 |
Chemical & Physical Properties
| XLogP | 0.3 |
|---|---|
| Topological polar surface area | 60.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 196 |
| Melting point | 116-118 °C(lit.) |
| Boiling point | 324.0±34.0 °C(Predicted) |
| Density | 1.48±0.1 g/cm3(Predicted) |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | 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 |
| UNSPSC Code | 12352005 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-37/39 |
| Water hazard class (WGK) | 3 |
| Customs code | 2933998090 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| Customs code | 2933998090 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 26-37/39 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| Hazard class | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
Reactant for:Solid-phase synthesis of carpanone-based inhibitors of exocytosis from Golgi apparatusPreparation selective cyclooxygenase-2 (COX-2) inactivatorsAcetylation of amines