4-(Ethoxycarbonyl)phenylzinc iodide
Ethyl 4-(iodozincio)benzoate · 4-(ETHOXYCARBONYL)PHENYLZINC IODIDE · 4-(Iodozincio)benzoic acid ethyl ester · (4-(Ethoxycarbonyl)phenyl)zinc(II) iodide · 4-(ethoxycarbonyl)phenylzinc iodide solution · 4-(Ethoxycarbonyl)phenylzinc iodide solution 0.5 in THF · 4-(Ethoxycarbonyl)phenylzinc iodide solution 0.5M in THF · 4-(Ethoxycarbonyl)phenylzinc iodide, 0.50 M in THF - [E73217]
Identifiers & Physical Properties
| CAS No. | 131379-16-3 |
|---|---|
| Molecular formula | C9H9IO2Zn |
| Average molar mass | 341.5 g/mol |
| SMILES | CCOC(=O)c1cc[c-]cc1.[Zn+][I] |
| InChIKey | QKMCGFIQAJUQIL-UHFFFAOYSA-M |
| PubChem CID | 5107659 |
| DTXSID | DTXSID201296284 |
Chemical & Physical Properties
| Topological polar surface area | 26.3 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 228 |
| Density | 1.018 g/mL at 25 °C |
| Flash point | 1 °F |
| Storage conditions | 2-8°C |
| Solubility | Reacts with water. |
| Sensitivity | Air Sensitive |
| InChI | 1S/C9H9O2.HI.Zn/c1-2-11-9(10)8-6-4-3-5-7-8/h4-7H,2H2,1H3/q+1/p-1 |
| InChIKey | QKMCGFIQAJUQIL-UHFFFAOYSA-M |
| SMILES | CCOC(=O)c1ccc([Zn]I)cc1 |
| CAS DataBase Reference | 131379-16-3 |
| UNSPSC Code | 12352103 |
| NACRES | NA.22 |
| GHS pictogram | GHS05,GHS02,GHS07,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H261-H314-H318-H333-H225-H302-H319-H335-H351 |
| GHS precautionary statements | P210-P280-P301+P312+P330-P305+P351+P338-P370+P378-P403+P235-P223-P303+P361+P353-P405-P501a |
| Target organs | Respiratory system |
| Hazard symbols | F,Xn |
| Risk statements (R) | 14-19-22-36/38-40-36/37-11 |
| Safety statements (S) | 16-26-33-36-36/37 |
| UN transport number | UN 2056 3/PG 2 |
| Water hazard class (WGK) | 1 |
| Hazard class | 4.3Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 2STOT SE 3 |
| Storage class | 3 - Flammable liquids |
Safety & Regulations
| Water hazard class (WGK) | 1 |
|---|---|
| UN transport number | UN 2056 3/PG 2 |
| Risk statements (R) | 14-19-22-36/38-40-36/37-11 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS02,GHS07,GHS08 |
| Hazard symbols | F,Xn |
| Safety statements (S) | 16-26-33-36-36/37 |
| Hazard class | 4.3Acute Tox. 4 OralCarc. 2Eye Irrit. 2Flam. Liq. 2STOT SE 3 |
| Storage class | 3 - Flammable liquids |
| Target organs | Respiratory system |
| GHS hazard statements | H261-H314-H318-H333-H225-H302-H319-H335-H351 |
| GHS precautionary statements | P210-P280-P301+P312+P330-P305+P351+P338-P370+P378-P403+P235-P223-P303+P361+P353-P405-P501a |
Applications & Uses
Uses
4-(Ethoxycarbonyl)phenylzinc iodide is used as pharmaceutical intermediates.
Uses
4-(Ethoxycarbonyl)phenylzinc iodide can be used as:A substrate in the transition metal-catalyzed cross-coupling reactions with unsaturated thioethers and thiomethyl-substituted N-heterocycles.A starting material in the synthesis of indazole derived glucagon receptor antagonists.A substrate in the Pd-catalyzed synthesis of 5-aryl-2-furaldehydes by reacting with 5-bromo-2-furaldehyde.