PRODUCT Properties
| Melting point: | 124-128 °C(lit.) |
| Boiling point: | 271.6±23.0 °C(Predicted) |
| Density | 1.9241 (estimate) |
| storage temp. | Keep in dark place,Sealed in dry,Room Temperature |
| form | Powder or Chunks |
| color | Light yellow-brown |
| Water Solubility | Insoluble in water. |
| Sensitive | Light Sensitive |
| InChI | InChI=1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H |
| InChIKey | XOKDXPVXJWTSRM-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(I)C=C1 |
| CAS DataBase Reference | 3058-39-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzonitrile, 4-iodo-(3058-39-7) |
| EPA Substance Registry System | Benzonitrile, 4-iodo- (3058-39-7) |
Description and Uses
4-Iodobenzonitrile may be used in the synthesis of the following:
ethyl-4′-cyano-4-nitro[1,1′-biphenyl]-2-carboxylate via a multi-step reaction process
2-(4-cyanophenyl)tellurophene obtained via Stille coupling with tellurophene
2,5-bis(4-cyanophenyl)tellurophene obtained via Stille coupling with 2,5-bis(trimethylstannyl)tellurophene
ethyl-4′-cyano-6-{[(E)-phenylmethylidene]amino}[1,1′-biphenyl]-3-carboxylate via a multi-step reaction process
Safety
| Symbol(GHS) |   GHS06,GHS07 |
| Signal word | Danger |
| Hazard statements | H301-H315-H319-H312-H332-H335 |
| Precautionary statements | P261-P301+P310a-P305+P351+P338-P501a-P264-P270-P280-P301+P310+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P405-P501 |
| Hazard Codes | Xn,Xi |
| Risk Statements | 36/37/38-20/21/22 |
| Safety Statements | 22-24/25-36/37/39-26 |
| RIDADR | 3439 |
| WGK Germany | 3 |
| Hazard Note | Irritant |
| TSCA | Yes |
| HazardClass | 6.1 |
| PackingGroup | III |
| HS Code | 29269090 |
| Limited Quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
