HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Chloro-1H-imidazo[4,5-c]pyridine
4-CHLORO-1-H-IMIDAZO[4 · 4-Chloro-1-H-imidazo[4,5-c]pyridine · 3H-IMidazo[4,5-c]pyridine, 4-chloro- · 4-Chloro-1H-imidazo[4,5-c]pyridine 98% · 4-CHLORO-1-H-IMIDAZO[4,5-C]PYRIDINE ISO 9001：2015 REACH · 4-CHLORO-1-H-IMIDAZO[4,5-C]PYRIDINE4-CHLORO-1-H-IMIDAZO[4,5-C]PYRIDINE
![4-Chloro-1H-imidazo[4,5-c]pyridine molecular structure](/img/chemical/5373364.png)
Identifiers & Physical Properties
| CAS No. | 2770-01-6 |
|---|---|
| Molecular formula | C6H4ClN3 |
| Average molar mass | 153.57 g/mol |
| Monoisotopic mass | 153.00937481 g/mol |
| SMILES | Clc1nccc2[nH]cnc12 |
| InChIKey | DHJMLXBBZRWBPW-UHFFFAOYSA-N |
| PubChem CID | 5373364 |
| ChEMBL | CHEMBL33524 |
| EC No. | 810-345-6 |
| DTXSID | DTXSID90418716 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 41.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 10 |
| Formal charge | 0 |
| Complexity | 130 |
| Melting point | 179-181 °C |
| Boiling point | 455.4±25.0 °C(Predicted) |
| Density | 1.531±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| Solubility | DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated) |
| Physical state | Solid |
| pKa (acidity coefficient) | 7.93±0.40(Predicted) |
| Color | Pale Beige to Pale Brown |
| InChI | InChI=1S/C6H4ClN3/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H,(H,9,10) |
| InChIKey | DHJMLXBBZRWBPW-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NC=CC2N=CNC1=2 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
| Customs code | 2933399990 |
Safety & Regulations
| GHS classification | WarningH302 (100%): 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 19 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Customs code | 2933399990 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
4-Chloro-1H-imidazo[4,5-c]pyridine is used as a reagent in the synthesis of 3-bromo-3-deazaneplanocin and 3-bromo-3-deazaaristeromycin, compounds which exhibit antiviral activity.