1,2,3,4-Tetrafluoro-5,6-diiodobenzene
Basic information
- CAS
2708-97-6- Standard SMILES
Fc1c(F)c(F)c(I)c(I)c1F- InChIKey
JQBYIZAYQMMVTO-UHFFFAOYSA-N- Molecular formula
- C6F4I2
- Average molar mass
- 401.87 g/mol
- Monoisotopic mass
- 401.80256
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrafluoro-5,6-diiodobenzene
- IUPAC
- 1,2,3,4-tetrafluoro-5,6-diiodobenzene
- English name
- 1,2-Diiodotetrafluorobenzene
- Molecular formula
- C6F4I2
- Molecular weight
- 401.87
Names & synonyms
2708-97-61,2,3,4-Tetrafluoro-5,6-diiodobenzeneEINECS 220-303-3DTXSID70181552NSC 21629RefChem:71292DTXCID10104043220-303-31,2-Diiodotetrafluorobenzene1,2-Diiodo-3,4,5,6-tetrafluorobenzeneMFCD00019011NBA9AD5ZEM
Show more names
1 2-DIIODOTERAFLUOROBENZENE1,2-Diiodotetrafluorobenzene99%1,2-Diiodotetrafluorobenzene 99%Tetrafluoro-1,2-phenylene diiodide1,2-Diiodotetrafluorobenzene - [D94242]Benzene, 1,2,3,4-tetrafluoro-5,6-diiodo-1-bromo-4-[1-(4-bromophenyl)-2-methylprop-1-enyl]benzene
UNII-NBA9AD5ZEMNSC21629NSC-216291 2-diiodotetrafluorobenzeneSCHEMBL21905841,2-DiiodotetrafluSCHEMBL29769227JQBYIZAYQMMVTO-UHFFFAOYSA-N
Database identifiers
- CAS
2708-97-6- PubChem CID
- 75923
- DTXSID
DTXSID70181552- UNII
- NBA9AD5ZEM
- EC Number
- 220-303-3
- Nikkaji
- J192.216E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 49 · 49-50 °C (lit.)
- Boiling point
- 232.6 · 232.6±40.0 °C(Predicted)
- Density
- 2.671 · 2.671±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- form
- crystalline solid
- color
- Off-white to faint yellow
- InChI
- InChI=1S/C6F4I2/c7-1-2(8)4(10)6(12)5(11)3(1)9
- InChIKey
- JQBYIZAYQMMVTO-UHFFFAOYSA-N
- SMILES
- C1(F)=C(I)C(I)=C(F)C(F)=C1F
- CAS DataBase Reference
- 2708 · 2708-97-6(CAS DataBase Reference)
- FDA UNII
- 9 AD5ZEM · NBA9AD5ZEM
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (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 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
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
- 26-37/39
- 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
Uses1,2,3,4-Tetrafluoro-5,6-diiodobenzene is used in perfluorinated graded index polymer optical fiber as a dopant.
General Description1,2-Diiodotetrafluorobenzene on treatment with methyl lithium at -78/dg, affords dilithiotetrafluorobenzene. 1,2-Diiodotetrafluorobenzene (1,2-DITFB) forms co-crystals with nitroxide 1,1,3,3-tetramethylisoindolin-2-yloxyl (TMIO), a 2:2 cyclic tetramer, (TMIO)2·(1,2-DITFB)2.
Upstream & downstream products
Upstream raw materials
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