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| | 2,3,5,6-Tetrafluorophenol Basic information |
| Product Name: | 2,3,5,6-Tetrafluorophenol | | Synonyms: | 2,3,5,6-Tetrafluorop;2,3,5,6-tetrafluoroethane phenol;4-Hydroxy-1H-perfluorobenzene;2,3,5,6-Tetrafluorophenol, 98% 5GR;2,3,5,6-Tetrafluorophenol,tech.;2,3,5,6-Tetrafluorophenol 98%;2,3,5,6-Tetrafluorophenol98%;Tfp-OH (Tetramethylfluoroformamidiniun hexafluorophosphate) | | CAS: | 769-39-1 | | MF: | C6H2F4O | | MW: | 166.07 | | EINECS: | 212-209-6 | | Product Categories: | pharmacetical;Phenol&Thiophenol&Mercaptan;Organic Building Blocks;Oxygen Compounds;Phenols | | Mol File: | 769-39-1.mol |  |
| | 2,3,5,6-Tetrafluorophenol Chemical Properties |
| Melting point | 37-39 °C (lit.) | | Boiling point | 140 °C (lit.) | | density | 1.4445 (estimate) | | Fp | 175 °F | | storage temp. | Keep in dark place,Inert atmosphere,Room temperature | | pka | 5.46±0.20(Predicted) | | form | Crystalline Low Melting Solid | | color | White | | Water Solubility | Partly miscible with water. | | BRN | 1911548 | | Stability: | Stable. Incompatible with acid chlorides, acid anhydrides, oxidizing agents. | | InChI | InChI=1S/C6H2F4O/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H | | InChIKey | PBYIIRLNRCVTMQ-UHFFFAOYSA-N | | SMILES | C1(O)=C(F)C(F)=CC(F)=C1F | | CAS DataBase Reference | 769-39-1(CAS DataBase Reference) | | NIST Chemistry Reference | 2,3,5,6-Tetrafluorophenol(769-39-1) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36 | | RIDADR | UN3261 | | WGK Germany | 3 | | Hazard Note | Irritant | | HazardClass | 8 | | PackingGroup | III | | HS Code | 29081990 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2,3,5,6-Tetrafluorophenol Usage And Synthesis |
| Chemical Properties | white solid | | Uses | 2,3,5,6-Tetrafluorophenol is a reagent in the preparation of polyfluorophenyl ester-terminated homobifunctional cross-linkers to be used in protein conjugation. | | Synthesis | Chalcone 1d (1.0 g, 3.4 mmol) was added to a 10 mL DMF solution containing guanidine hydrochloride (0.64 g, 6.7 mmol) and sodium hydride (0.32 g, 13.4 mmol). The reaction mixture was stirred at 50 °C for 1.5 h before being cooled to room temperature and subsequently poured into ice water and extracted with ethyl acetate. Undissolved material at the phase boundary was removed by filtration, resulting in the isolation of 2-amino-6-phenyl-5,6-dihydropyrimidin-4(1H)-one (7a, 0.1 g, 16% yield). The 1H NMR data and melting point (255-257 °C; literature value 257.3 °C [19]) of this product were in agreement with those reported in the literature [19]. The extract was washed with water and dried with CaCl2 and concentrated under reduced pressure to remove the solvent, yielding 0.29 g of residue, which was analyzed by NMR and GC/MS. | | References | [1] Russian Journal of Organic Chemistry, 2015, vol. 51, # 12, p. 1745 - 1752
[2] Zh. Org. Khim., 2015, vol. 51, # 12, p. 1778 - 1785,8 |
| | 2,3,5,6-Tetrafluorophenol Preparation Products And Raw materials |
| Raw materials | Benzenemethanol, 2,3,5,6-tetrafluoro-4-hydroxy--->Potassium pentafluorophenolate-->2-(2,3,4,5,6-Pentafluoroanilino)-1-ethanol-->Pentafluorophenol-->Perfluorocyclohexane-->2,3,5,6-Tetrafluoro-4-hydroxy-benzoic acid-->4-Nitrophenyl acetate-->2,3,4,5,6-Pentafluoroaniline-->Pentafluorobenzoic acid-->4-Nitrophenol-->Pentafluorobenzene-->Hypophosphorous acid | | Preparation Products | 4-Bromotetrafluorophenol-->2,3,5,6-Tetrafluoronitrobenzene-->trans-Cinnamic acid-->Pentanoic acid, 4-oxo-3-[[(2S)-1-oxo-2-[[(phenylMethoxy)carbonyl]aMino]propyl]aMino]-5-(2,3,5,6-tetrafluorophenoxy)-, 1,1-diMethylethyl ester, (3S)- |
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