| Identification | More | [Name]
3,5-Bis(trifluoromethyl)phenol | [CAS]
349-58-6 | [Synonyms]
3,5-BIS(TRIFLUOROMETHYL)PHENOL
3,5-DI(TRIFLUOROMETHYL)PHENOL
MBT-OH
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% | [EINECS(EC#)]
206-488-3 | [Molecular Formula]
C8H4F6O | [MDL Number]
MFCD00000386 | [Molecular Weight]
230.11 | [MOL File]
349-58-6.mol |
| Chemical Properties | Back Directory | [Appearance]
CLEAR SLIGHTLY BROWN LIQUID | [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. ]
2-8°C
| [form ]
clear liquid | [pka]
7.96±0.10(Predicted) | [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) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29081990 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [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 |
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J & K SCIENTIFIC LTD.
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Alfa Aesar
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Energy Chemical
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www.energy-chemical.com |
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Jia Xing Isenchem Co.,Ltd
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