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2713-34-0

Basic Information
CAS No.: 2713-34-0
Name: 3,5-Difluorophenol
Article Data: 11
Molecular Structure:
Molecular Structure of 2713-34-0 (3,5-Difluorophenol)
Formula: C6H4F2O
Molecular Weight: 130.094
Synonyms: Phenol, 3,5-difluoro-;3,5-Difluoro phenol;
EINECS: -0
Density: 1.351 g/cm3
Melting Point: 54-57 °C(lit.)
Boiling Point: 175.4 °C at 760 mmHg
Flash Point: 70.6 °C
Appearance: white to beige crystals
Hazard Symbols: IrritantXi, HarmfulXn, CorrosiveC, FlammableF
Risk Codes: 20/21/22-36/37/38-34-11
Safety: 26-36-45-36/37/39-16
Transport Information: UN 1325 4.1/PG 2
PSA: 20.23000
LogP: 1.67040
Synthetic route
28314-80-9

2,4,6-trifluorobenzoic acid

2713-34-0

3,5-difluorophenol

Conditions
ConditionsYield
With potassium phosphate In tert-butyl methyl ether; water at 100 - 125℃; for 35h; Reagent/catalyst; Temperature; Solvent; Sealed tube;96.1%
With water; potassium hydroxide at 90 - 135℃; for 35h; Sealed tube;95.1%
156545-07-2

3,5-difluorophenylboronic acid

2713-34-0

3,5-difluorophenol

Conditions
ConditionsYield
With dihydrogen peroxide; iodine In dichloromethane at 20℃; for 0.666667h; Solvent;84.9%
With water at 20℃; for 20h;50 %Chromat.
461-96-1

3,5-difluorobromobenzene

2713-34-0

3,5-difluorophenol

Conditions
ConditionsYield
With sulfolane; potassium hydroxide In water at 130℃; under 6000.6 Torr; for 8h; Inert atmosphere; Autoclave;80.8%
40161-50-0

3,5-difluoro-1-(diethoxymethylsilyl)benzene

2713-34-0

3,5-difluorophenol

Conditions
ConditionsYield
With potassium fluoride; dihydrogen peroxide In ethanol for 18h; Heating;70%
372-38-3

1,3,5-trifluorobenzene

2713-34-0

3,5-difluorophenol

Conditions
ConditionsYield
With potassium hydroxide In dimethyl sulfoxide at 132 - 134℃; for 1h;40%
372-39-4

3,5-difluoroaniline

2713-34-0

3,5-difluorophenol

372-38-3

1,3,5-trifluorobenzene

A

41860-46-2

2,2’,4,4’,6,6’-hexafluorobiphenyl

B

2713-34-0

3,5-difluorophenol

C

2,4,6,2',6'-pentafluoro-biphenyl

D

2,4-difluoro-6-(2,4,6-trifluoro-phenoxy)-benzene-1,3-diol

Conditions
ConditionsYield
In water pH=5; Kinetics; Quantum yield; Oxidation; Photolysis; 254 nm;
372-38-3

1,3,5-trifluorobenzene

A

2713-34-0

3,5-difluorophenol

B

2268-17-9

2,4,6-trifluorophenol

C

4,6-difluoro-cyclohexa-2,5-diene-1,2-diol

D

5'-fluoro-biphenyl-3,5,3'-triol

Conditions
ConditionsYield
With dihydrogen peroxide; oxygen In water pH=5; Kinetics; Oxidation; Photolysis; 254 nm;
372-38-3

1,3,5-trifluorobenzene

A

2713-34-0

3,5-difluorophenol

B

3,5-difluoro-cyclohexa-1,5-diene-1,4-diol

C

2-fluoro-6-hydroxy-[1,4]benzoquinone

D

3-fluoro-2,5-dihydroxy-[1,4]benzoquinone

Conditions
ConditionsYield
With dihydrogen peroxide In water pH=5; Kinetics; Oxidation; Photolysis; 254 nm;
372-38-3

1,3,5-trifluorobenzene

A

2713-34-0

3,5-difluorophenol

B

2268-17-9

2,4,6-trifluorophenol

Conditions
ConditionsYield
With dihydrogen peroxide In acetonitrile at 60℃; for 15h; Catalytic behavior;
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Specification

The 3,5-Difluorophenol is an organic compound with the formula C6H4F2O. The IUPAC name of this chemical is 3,5-difluorophenol. With the CAS registry number 2713-34-0, it is also named as Phenol, 3,5-difluoro-. The product's categories are Fluorobenzene Series; Aromatic Phenols; Fluorobenzene; Phenol & Thiophenol & Mercaptan; Fluorophenols; Organic Building Blocks; Oxygen Compounds; Phenols. Besides, it is a white to beige crystal.

Physical properties about 3,5-Difluorophenol are: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 2.41; (3)ACD/LogD (pH 7.4): 2.31; (4)ACD/BCF (pH 5.5): 40.22; (5)ACD/BCF (pH 7.4): 31.84; (6)ACD/KOC (pH 5.5): 489.36; (7)ACD/KOC (pH 7.4): 387.49; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.495; (13)Molar Refractivity: 28.12 cm3; (14)Molar Volume: 96.2 cm3; (15)Polarizability: 11.14×10-24cm3; (16)Surface Tension: 36.4 dyne/cm; (17)Density: 1.351 g/cm3; (18)Flash Point: 70.6 °C; (19)Enthalpy of Vaporization: 42.86 kJ/mol; (20)Boiling Point: 175.4 °C at 760 mmHg; (21)Vapour Pressure: 0.856 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3,5-trifluoro-benzene. This reaction will need reagent potassium hydroxide and solvent dimethylsulfoxide. The reaction time is 60 min with reaction temperature of 132 - 134 °C. The yield is about 40%.



Uses of 3,5-Difluorophenol: it can be used to produce 1-butoxy-3,5-difluorobenzene by heating. It will need reagent potassium carbonate and solvent acetone with reaction time of 24 hours. The yield is about 90%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable and harmful by inhalation, in contact with skin and if swallowed. Please keep away from sources of ignition - No smoking. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin and can cause burns. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(O)cc(F)c1
(2)InChI: InChI=1/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
(3)InChIKey: HJSSBIMVTMYKPD-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
(5)Std. InChIKey: HJSSBIMVTMYKPD-UHFFFAOYSA-N