HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(1H-imidazol-2-yl)pyridine
2-(2-Pyridyl)imidazole · DK7401 · 2-(2′-Pyridyl)imidazole · 2-(2-Imidazolyl)pyridine · 2-(Pyridin-2-yl)imidazole · 2-(Pyridyl-2-yl)imidazole · 2-(Imidazol-2-yl)pyridine · 2-(imidazole-2-yl)pyridine
Identifiers & Physical Properties
| CAS No. | 18653-75-3 |
|---|---|
| Molecular formula | C8H7N3 |
| Average molar mass | 145.16 g/mol |
| Monoisotopic mass | 145.06399722 g/mol |
| SMILES | c1ccc(-c2ncc[nH]2)nc1 |
| InChIKey | SZXUTTGMFUSMCE-UHFFFAOYSA-N |
| PubChem CID | 589313 |
| ChEMBL | CHEMBL137663 |
| EC No. | 695-587-9 |
| DTXSID | DTXSID00343363 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 41.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 127 |
| Melting point | 135-140°C |
| Boiling point | 382.8±15.0 °C(Predicted) |
| Density | 1.214±0.06 g/cm3(Predicted) |
| Storage conditions | Inert atmosphere,Room Temperature |
| Solubility | Chloroform (Slightly), DMSO (Slightly) |
| pKa (acidity coefficient) | pK1:8.98(+1) (25°C,μ=0.005) |
| Physical state | solid |
| Color | Light brown to yellow |
| InChI | InChI=1S/C8H7N3/c1-2-4-9-7(3-1)8-10-5-6-11-8/h1-6H,(H,10,11) |
| InChIKey | SZXUTTGMFUSMCE-UHFFFAOYSA-N |
| SMILES | C1(C2NC=CN=2)=NC=CC=C1 |
| UNSPSC Code | 12352103 |
| NACRES | NA.23 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P264-P270-P301+P312-P501 |
| Hazard symbols | Xn |
| Risk statements (R) | 22 |
| Water hazard class (WGK) | 3 |
| Customs code | 2933399990 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 Oral |
Safety & Regulations
| GHS classification | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Water hazard class (WGK) | 3 |
| Customs code | 2933399990 |
| Risk statements (R) | 22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302 |
| Hazard class | Acute Tox. 4 Oral |
| GHS precautionary statements | P264-P270-P301+P312-P501 |
Applications & Uses
Uses
2-(2-Pyridyl)imidazole is a useful reagent in substitution reaction with bromobenzene.