Completing data — usually done within a minute
Basic information
- Standard SMILES
Fc1c(F)c(I)c(F)c(F)c1I- InChIKey
VIXRAZODEODOJF-UHFFFAOYSA-N- Molecular formula
- C6F4I2
- Average molar mass
- 401.866 g/mol
- Monoisotopic mass
- 401.80255888
Names & identifiers
- Preferred name
- 1,2,4,5-Tetrafluoro-3,6-diiodobenzene
- IUPAC
- 1,2,4,5-Tetrafluoro-3,6-diiodobenzene
- English name
- 1,4-Diiodotetrafluorobenzene
- Molecular formula
- C6F4I2
- Molecular weight
- 401.87
Names & synonyms
1,2,4,5-tetrafluoro-3,6-diiodobenzeneSKL564p-Diiodoperfluorobenzene1,4-DiiodotetrafluorobenzeneTetrafluoro-1,4-diiodobenzene1,4-Diiodoperfluorobenzene 98%1,4-Diiodotetrafluorobenzene97%1,4-Diiodotetrafluorobenzene98%1,4-Diiodotetrafluorobenzene 98%Tetrafluoro-1,4-phenylene diiodide
Database identifiers
- CAS
392-57-4- PubChem CID
- 67850
- DTXSID
DTXSID50192444- UNII
- 5G9SP2G9VX
- EC Number
- 206-877-8
- Nikkaji
- J213.621J
Properties
Physicochemical properties
- Melting point
- 108 · 108-110 °C (lit.)
- Boiling point
- 252.4 · 252.4±35.0 °C(Predicted)
- Density
- 2.671 · 2.671±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- 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 · 392-57-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 22 · 22-36/37/39-26
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 29039990 · 29039990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29039990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-36/37/39-26
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses1,4-Diiodotetrafluorobenzene has been used as the halogen bonding donor during the preparation of phosphorescent cocrystal with polycyclic aromatic hydrocarbons.
General Description1,4-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.
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Upstream raw materials
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