HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Iodopyridine
3-Pyridyl iodide · 3-lodopyridine · 3-Iodo Pyrdine · 3-IODOPYRIDINE · Pyridine, 3-iodo- · 3-Iodopyridine>3-Iodopyridine,99% · 3-Iodopyridine 98% · 3-Iodopyridine ,98%
Identifiers & Physical Properties
| CAS No. | 1120-90-7 |
|---|---|
| Molecular formula | C5H4IN |
| Average molar mass | 205 g/mol |
| Monoisotopic mass | 204.93884713 g/mol |
| SMILES | Ic1cccnc1 |
| InChIKey | XDELKSRGBLWMBA-UHFFFAOYSA-N |
| PubChem CID | 70714 |
| ChEMBL | CHEMBL5434735 |
| EC No. | 214-322-6 |
| DTXSID | DTXSID10149813 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 12.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 56 |
| Melting point | 53-56 °C (lit.) |
| Boiling point | 90-92°C 14mm |
| Density | 1.9668 (estimate) |
| Flash point | 224 °F |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Physical state | powder to crystal |
| pKa (acidity coefficient) | pK1:3.25(+1) (25°C) |
| Color | White to Light yellow to Light red |
| Sensitivity | Light Sensitive |
| BRN | 106059 |
| InChI | 1S/C5H4IN/c6-5-2-1-3-7-4-5/h1-4H |
| InChIKey | XDELKSRGBLWMBA-UHFFFAOYSA-N |
| SMILES | Ic1cccnc1 |
| CAS DataBase Reference | 1120-90-7(CAS DataBase Reference) |
| FDA UNII | LWL4FC4MZM |
| NIST Chemistry Reference | Pyridine, 3-iodo-(1120-90-7) |
| UNSPSC Code | 12352100 |
| 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,T |
| Risk statements (R) | 36/37/38-23/24/25 |
| Safety statements (S) | 26-36-45-36/37/39 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Hazard class | IRRITANT, LIGHT SENSITIVEEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29333990 |
| Storage class | 11 - Combustible Solids |
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 51 reports by companies from 10 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 | 29333990 |
| Risk statements (R) | 36/37/38-23/24/25 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,T |
| hazard_note | Irritant |
| Safety statements (S) | 26-36-45-36/37/39 |
| Hazard class | IRRITANT, LIGHT SENSITIVEEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Storage class | 11 - Combustible Solids |
| Target organs | Respiratory system |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 |
Applications & Uses
Uses
3-Iodopyridine may be used to synthesize following pyridine alkaloids:theonelladins C theonelladins Dniphatesine C xestamine D