HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-(2'-Pyridyl)benzimidazole
2-(Pyridin-2-yl)-1H-benzo[d]iMidazole · 2-(2'-PYRIDYL)BENZIMIDAZOLE · DK7433 · AI-4-88 · 2-(2-Pyridinyl) · 2-(2-PYRIDYL)BENZIMIDAZOLE · 2-(2-Pyridyl)benzimidazole,99% · 2-(2-Pyridyl)-1H-benzimidazole
Identifiers & Physical Properties
| CAS No. | 1137-68-4 |
|---|---|
| Molecular formula | C12H9N3 |
| Average molar mass | 195.22 g/mol |
| Monoisotopic mass | 195.07964729 g/mol |
| SMILES | c1ccc(-c2nc3ccccc3[nH]2)nc1 |
| InChIKey | YNFBMDWHEHETJW-UHFFFAOYSA-N |
| PubChem CID | 70821 |
| ChEMBL | CHEMBL72683 |
| EC No. | 214-508-7 |
| DTXSID | DTXSID50150529 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 41.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 219 |
| LogP (partition coefficient) | 2.5 |
| Melting point | 218-220 °C(lit.) |
| Boiling point | 321.89°C (rough estimate) |
| Density | 1.2142 (rough estimate) |
| Refractive index | 1.6990 (estimate) |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | Powder |
| pKa (acidity coefficient) | pK1:5.58(+1) (25°C,μ=0.16) |
| Color | Yellow to brown |
| Solubility | Insoluble in water. |
| BRN | 151411 |
| InChI | InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15) |
| InChIKey | YNFBMDWHEHETJW-UHFFFAOYSA-N |
| SMILES | C1(C2=NC=CC=C2)NC2=CC=CC=C2N=1 |
| CAS DataBase Reference | 1137-68-4(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
| Target organs | Respiratory system |
| Hazard symbols | Xn |
| Risk statements (R) | 22-36/37/38 |
| Safety statements (S) | 24/25-26 |
| Water hazard class (WGK) | 3 |
| Customs code | 29333999 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 1.6% (1 of 63) of reports.WarningH302 (96.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 63 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (96.8%) |
| Water hazard class (WGK) | 3 |
| Customs code | 29333999 |
| Risk statements (R) | 22-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 24/25-26 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H302-H315-H319-H335 |
| Hazard class | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| GHS precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
2-(2-Pyridyl)benzimidazole was used as a chelating fluorescent ligand in the synthesis of cobalt(II) complex. It was also used in the preparation of (H(2)L(1))(2)[Ru(III)Cl(4)(CH(3)CN)(2)](2)[Ru(IV)Cl(4)(CH(3)CN)(2)]·2Cl·6H(2)O complex.