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| | 3,5-Bis(trifluoromethyl)phenol Basic information |
| Product Name: | 3,5-Bis(trifluoromethyl)phenol | | Synonyms: | MBT-OH;3,5-DI(TRIFLUOROMETHYL)PHENOL;3,5-BIS(TRIFLUOROMETHYL)PHENOL;TIMTEC-BB SBB006599;Phenol, 3,5-bis(trifluoromethyl)-;alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylenol;3,5-Bis(trifluoromethyl)phenol 98%;3,5-Bis(trifluoromethyl)phenol98% | | CAS: | 349-58-6 | | MF: | C8H4F6O | | MW: | 230.11 | | EINECS: | 206-488-3 | | Product Categories: | Building Blocks;C6 to C8;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;Aromatic Phenols;Organic Building Blocks;Oxygen Compounds;Phenols;Fluorides | | Mol File: | 349-58-6.mol |  |
| | 3,5-Bis(trifluoromethyl)phenol Chemical Properties |
| Melting point | 20-21 °C(lit.) | | Boiling point | 97 °C50 mm Hg(lit.) | | density | 1.511 g/mL at 25 °C(lit.) | | refractive index | n20/D 1.415(lit.) | | Fp | >230 °F | | storage temp. | Keep in dark place,Sealed in dry,Room Temperature | | pka | 7.96±0.10(Predicted) | | form | clear liquid | | color | Colorless to Light yellow to Light orange | | Specific Gravity | 1.511 | | BRN | 2123670 | | InChI | 1S/C8H4F6O/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H | | InChIKey | ODSXJQYJADZFJX-UHFFFAOYSA-N | | SMILES | Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F | | CAS DataBase Reference | 349-58-6(CAS DataBase Reference) | | NIST Chemistry Reference | 3,5-Xylenol, aplha,aplha,aplha,aplha',aplha',aplha'-hexafluoro-(349-58-6) |
| Hazard Codes | Xi | | Risk Statements | 36/37/38 | | Safety Statements | 26-36-37/39 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 29081990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 3,5-Bis(trifluoromethyl)phenol Usage And Synthesis |
| Chemical Properties | CLEAR SLIGHTLY BROWN LIQUID | | Uses | 3,5-Bis(trifluoromethyl)phenol (BTMP) has been used as hydrogen donor in synergistic extraction of aluminium (III) and gallium (III) with 2,4-pentanedione in heptane. | | Synthesis | General procedure for the synthesis of 3,5-bis(trifluoromethyl)iodobenzene from 3,5-bis(trifluoromethyl)iodobenzene: In a test tube equipped with a magnetic stirrer, 3,5-bis(trifluoromethyl)iodobenzene (1.0 mmol), CuCl2 (13.4 mg, 0.1 mmol), KOH (336 mg, 6.0 mmol), ethylene glycol (12 μL, 0.2 mmol), and DMSO/H2O mixed solvent (1.0 mL/0.5 mL). The system was replaced by argon gas and then placed in an oil bath preheated to 120 °C with stirring for 24 hours. After completion of the reaction, it was cooled to room temperature and the reaction mixture was extracted by partitioning with 5% HCl aqueous solution and ethyl acetate. The organic phase was washed sequentially with water and saturated saline, dried over anhydrous MgSO4 and concentrated under reduced pressure to remove the solvent. The crude product was further purified by column chromatography (eluent: EtOAc/hexane) to afford the target product 3,5-bis(trifluoromethyl)phenol. | | References | [1] Bulletin of the Korean Chemical Society, 2015, vol. 36, # 12, p. 2833 - 2840 |
| | 3,5-Bis(trifluoromethyl)phenol Preparation Products And Raw materials |
| Raw materials | 2-[3,5-BIS(TRIFLUOROMETHYL)PHENOXY]ETHANOL-->3,5-Bis(trifluoromethyl)benzeneboronic acid-->5-Hydroxyisophthalic acid-->3',5'-Bis(trifluoromethyl)acetophenone-->3,5-BIS(TRIFLUOROMETHYL)PHENYLMETHYLSULFONE-->3,5-BIS(TRIFLUOROMETHYL)THIOANISOLE-->(3 5 BIS(TRIFLUOROMETHYL)PHENYL)MAGNESI&-->3,5-Bis(trifluoromethyl)benzenethiol-->3,5-BIS(TRIFLUOROMETHYL)IODOBENZENE-->1,3-Bis(trifluoromethyl)-benzene-->3,5-Bis(trifluoromethyl)bromobenzene-->3,5-Bis(trifluoromethyl)aniline | | Preparation Products | 3,5-BIS(TRIFLUOROMETHYL)ANISOLE-->CIS-STILBENE |
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