HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,4-Diiodotetrafluorobenzene
1,2,4,5-tetrafluoro-3,6-diiodobenzene · SKL564 · p-Diiodoperfluorobenzene · 1,4-Diiodotetrafluorobenzene · Tetrafluoro-1,4-diiodobenzene · 1,4-Diiodoperfluorobenzene 98% · 1,4-Diiodotetrafluorobenzene97% · 1,4-Diiodotetrafluorobenzene98%
Identifiers & Physical Properties
| CAS No. | 392-57-4 |
|---|---|
| Molecular formula | C6F4I2 |
| Average molar mass | 401.87 g/mol |
| Monoisotopic mass | 401.80255888 g/mol |
| SMILES | Fc1c(F)c(I)c(F)c(F)c1I |
| InChIKey | VIXRAZODEODOJF-UHFFFAOYSA-N |
| PubChem CID | 67850 |
| EC No. | 206-877-8 |
| DTXSID | DTXSID50192444 |
Chemical & Physical Properties
| XLogP | 3.6 |
|---|---|
| Topological polar surface area | 0 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 134 |
| Melting point | 108-110 °C (lit.) |
| Boiling point | 252.4±35.0 °C(Predicted) |
| Density | 2.671±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| Color | White to Off-White |
| InChI | 1S/C6F4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11 |
| InChIKey | VIXRAZODEODOJF-UHFFFAOYSA-N |
| SMILES | Fc1c(F)c(I)c(F)c(F)c1I |
| CAS DataBase Reference | 392-57-4(CAS DataBase Reference) |
| 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 |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 22-36/37/39-26 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Customs code | 29039990 |
| 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 42 reports by companies from 5 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 | 29039990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 22-36/37/39-26 |
| Hazard class | IRRITANTEye 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
1,4-Diiodotetrafluorobenzene has been used as the halogen bonding donor during the preparation of phosphorescent cocrystal with polycyclic aromatic hydrocarbons.
General Description
1,4-Diiodotetrafluorobenzene forms trimeric complexes as new, halogen-bonded mesogens with two molecules of alkoxystilbazole. The electron density study of the halogen-bonded complex of 4,4′-dipyridyl-N,N′-dioxide with 1,4-diiodotetrafluorobenzene at 90K has been reported.