HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Quinolinol, 3-iodo-
3-iodo-4-Quinolinol · 3-Iodo-quinolin-4-ol · 4-Quinolinol, 3-iodo-
Identifiers & Physical Properties
| CAS No. | 64965-48-6 |
|---|---|
| Molecular formula | C9H6INO |
| Average molar mass | 271.05 g/mol |
| Monoisotopic mass | 270.94941 g/mol |
| SMILES | O=c1c(I)c[nH]c2ccccc12 |
| InChIKey | HZBSJOAFGNZACW-UHFFFAOYSA-N |
| PubChem CID | 12376844 |
| EC No. | 107-059-2 |
| DTXSID | DTXSID901314766 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 29.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 237 |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Physical state | solid |
| InChI | 1S/C9H6INO/c10-7-5-11-8-4-2-1-3-6(8)9(7)12/h1-5H,(H,11,12) |
| InChIKey | HZBSJOAFGNZACW-UHFFFAOYSA-N |
| SMILES | Oc1c(I)cnc2ccccc12 |
| UNSPSC Code | 12352200 |
| NACRES | NA.21 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P280-P305+P351+P338 |
| Hazard symbols | Xn |
| Risk statements (R) | 22 |
| Water hazard class (WGK) | 3 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 Oral |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Water hazard class (WGK) | 3 |
| 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 | P280-P305+P351+P338 |
Applications & Uses
Uses
4-Hydroxy-3-iodoquinoline can be used as a pharmaceutical synthesis intermediate. It can be prepared by reacting 4-hydroxyquinoline with iodine or a potassium iodide solution of iodine.