| Identification | More | [Name]
3,5-Difluorophenol | [CAS]
2713-34-0 | [Synonyms]
3,5-DIFLUOROPHENOL
Phenol,3,5-difluoro-
3,5-Difluorophenol,98+%
3,5-Difluorophenol 99%
3,5-Difluorophenol99% | [EINECS(EC#)]
608-047-4 | [Molecular Formula]
C6H4F2O | [MDL Number]
MFCD00002255 | [Molecular Weight]
130.09 | [MOL File]
2713-34-0.mol |
| Chemical Properties | Back Directory | [Appearance]
white to beige crystals | [Melting point ]
54-57 °C (lit.) | [Boiling point ]
65-68°C 1mm | [density ]
1.2483 (estimate) | [Fp ]
159 °F
| [storage temp. ]
Flammables area | [solubility ]
ethanol: soluble50, clear, colorless to faint yellow or tan (mg/mL) | [form ]
Crystals | [pka]
7.97±0.10(Predicted) | [color ]
White to beige | [BRN ]
2078616 | [InChI]
InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H | [InChIKey]
HJSSBIMVTMYKPD-UHFFFAOYSA-N | [SMILES]
C1(O)=CC(F)=CC(F)=C1 | [CAS DataBase Reference]
2713-34-0(CAS DataBase Reference) | [NIST Chemistry Reference]
3,5-Difluorophenol(2713-34-0) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi,C,F | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R34:Causes burns.
R11:Highly Flammable. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
UN 1325 4.1/PG 2
| [WGK Germany ]
3
| [Hazard Note ]
Harmful | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29081900 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
1,3,5-Trifluorobenzene-->1-Bromo-3,5-difluorobenzene-->Potassium hydroxide-->Sulfolane | [Preparation Products]
2,6-Difluoro-4-hydroxybenzonitrile-->2,6-DIFLUORO-4-HYDROXYBENZALDEHYDE-->3,5-Difluorobenzoic acid-->tert-butyl(3,5-difluorophenoxy)dimethylsilane-->2-(3,5-Difluorophenoxy)acetic acid-->4-tert-butyl-3,5-difluorophenol-->4-Butoxy-2,6-difluorobenzoicacid |
| Hazard Information | Back Directory | [Chemical Properties]
white to beige crystals | [Uses]
3,5-Difluorophenol is an important medicine, pesticide, and liquid crystal material intermediate, mainly used in the synthesis of liquid crystal materials and antifungal agents, and also used in the synthesis of dyes, plastics and rubber additives. | [Synthesis]
The general procedure for the synthesis of 3,5-difluorophenol from 3,5-difluorobromobenzene was as follows: referring to the method described in Example 1, the feedstock was replaced with 96.5 g (0.5 mol) of 3,5-difluoro-1-bromobenzene, and Raney Ni was used as a catalyst. The reaction temperature was raised to 130 °C and pressurized to 0.8 MPa under nitrogen atmosphere. keeping the rest of the reaction conditions unchanged, 52.6 g of 3,5-difluorophenol was finally obtained, with a melting point of 39-41 °C, a yield of 80.8%, and a product purity of 99.65%. | [References]
[1] Patent: CN105384603, 2016, A. Location in patent: Paragraph 0030 |
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