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| | 1,2,4,5-Tetrafluorobenzene Basic information |
| Product Name: | 1,2,4,5-Tetrafluorobenzene | | Synonyms: | 2,3,5,6-Tetrafluorobenzene;benzene,1,2,4,5-tetrafluoro-;p-Tetrafluorobenzene;1,2,4,5-TETRAFLUOROBENZENE;1,2,4,5-TETRAFLUOROBENZENE, 99+%;1,2,4,5-Tetrafluorobenzene 99%;1,2,4,5-Tetrafluorbenzol;1,2,4,5-Tetrafluorobenzene,98% | | CAS: | 327-54-8 | | MF: | C6H2F4 | | MW: | 150.07 | | EINECS: | 206-319-3 | | Product Categories: | Aryl;Halogenated Hydrocarbons;bc0001;C6 | | Mol File: | 327-54-8.mol |  |
| | 1,2,4,5-Tetrafluorobenzene Chemical Properties |
| Melting point | 4 °C (lit.) | | Boiling point | 90 °C (lit.) | | density | 1.344 g/mL at 25 °C (lit.) | | refractive index | n20/D 1.407(lit.) | | Fp | 61 °F | | storage temp. | Sealed in dry,2-8°C | | form | clear liquid | | Specific Gravity | 1.344 | | color | Colorless to Almost colorless | | Water Solubility | Not miscible or difficult to mix in water. | | BRN | 1909052 | | Henry's Law Constant | 5.6×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) | | InChI | InChI=1S/C6H2F4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H | | InChIKey | SDXUIOOHCIQXRP-UHFFFAOYSA-N | | SMILES | C1(F)=CC(F)=C(F)C=C1F | | CAS DataBase Reference | 327-54-8(CAS DataBase Reference) | | NIST Chemistry Reference | Benzene, 1,2,4,5-tetrafluoro-(327-54-8) |
| Hazard Codes | F,Xi | | Risk Statements | 11-36/37/38 | | Safety Statements | 16-26-36/37/39-37/39-33-7/9 | | RIDADR | UN 1993 3/PG 2 | | WGK Germany | 3 | | Hazard Note | Flammable/Irritant | | HazardClass | 3 | | PackingGroup | II | | HS Code | 29039990 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Eye Irrit. 2
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3 |
| | 1,2,4,5-Tetrafluorobenzene Usage And Synthesis |
| Chemical Properties | CLEAR COLOURLESS LIQUID | | Uses | It is employed as intermediate in organic synthesis. It is also used as pharmaceutical intermediate. | | Synthesis Reference(s) | The Journal of Organic Chemistry, 29, p. 3042, 1964 DOI: 10.1021/jo01033a061 | | Synthesis | First, 2,4-dichlorofluorobenzene was used as a raw material and nitrated in the presence of 98% concentrated sulfuric acid at 20-40℃ to introduce a nitro group at a specific position on the benzene ring, generating 2,4-dichloro-5-fluoronitrobenzene. After purification by toluene extraction, solvent recovery under normal pressure, and vacuum distillation (120-130℃/8 mmHg), anhydrous potassium fluoride was used as the fluorinating agent to carry out a nucleophilic aromatic substitution reaction (Halex reaction) in a polar aprotic solvent at a high temperature of 180-200℃. The fraction with a boiling point of 88-92℃ was collected in time by "reaction-distillation". Through the simultaneous substitution of two chlorine atoms and the nitro group by fluorine atoms, 1,2,4,5-tetrafluorobenzene was finally obtained. |
| | 1,2,4,5-Tetrafluorobenzene Preparation Products And Raw materials |
| Raw materials | Hydrochloric acid-->Fluoroboric acid-->1,2,3,5-Tetrafluorobenzene-->1,2,3,4-Tetrafluorobenzene-->Pentafluorobenzene-->hexafluorobenzene | | Preparation Products | 2,3,5,6-tetrafluoro-4-mercapto-Benzoic acid-->1,2,4,5-Benzenetetrathiol-->4H,4'H-Octafluorobiphenyl-->1,4-Diiodotetrafluorobenzene-->1,3,5-Trifluorobenzene |
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