3,5-Difluorophenol supplier

Name
3,5-Difluorophenol
EINECS -0
CAS No. 2713-34-0
Article Data11
CAS DataBase
Density 1.351 g/cm³
Solubility
Melting Point 54-57 °C(lit.)
Formula C₆H₄F₂O
Boiling Point 175.4 °C at 760 mmHg
Molecular Weight 130.094
Flash Point 70.6 °C
Transport Information UN 1325 4.1/PG 2
Appearance white to beige crystals
Safety 26-36-45-36/37/39-16
Risk Codes 20/21/22-36/37/38-34-11
Molecular Structure
Hazard Symbols Xi, Xn, C, F
Synonyms Phenol, 3,5-difluoro-;3,5-Difluoro phenol;
PSA 20.23000
LogP 1.67040

Synthetic route

: 28314-80-9
2,4,6-trifluorobenzoic acid

: 2713-34-0
3,5-difluorophenol

Conditions

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
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

Conditions	Yield
In water pH=5; Kinetics; Quantum yield; Oxidation; Photolysis; 254 nm;

...Expand

: 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

Conditions	Yield
With dihydrogen peroxide; oxygen In water pH=5; Kinetics; Oxidation; Photolysis; 254 nm;

...Expand

: 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

Conditions	Yield
With dihydrogen peroxide In water pH=5; Kinetics; Oxidation; Photolysis; 254 nm;

...Expand

: 372-38-3
1,3,5-trifluorobenzene

A: 2713-34-0
3,5-difluorophenol

B: 2268-17-9
2,4,6-trifluorophenol

Conditions

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

: 163733-96-8
3,4,5-trifluoro aniline

: 2713-34-0
3,5-difluorophenol

Conditions

Conditions	Yield
Stage #1: 3,4,5-trifluoro aniline With sulfuric acid; sodium nitrite at 20 - 55℃; Stage #2: With dichloromethane; hypophosphorous acid at 20 - 55℃; for 0.5h;

: 31881-89-7
2,4,6-trifluoro-3,5-dichlorobenzonitrile

: 2713-34-0
3,5-difluorophenol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: palladium 10% on activated carbon; hydrogen; magnesium oxide / water / 10 h / 80 - 85 °C / 6000.6 - 6750.68 Torr 2: palladium 10% on activated carbon; hydrogen; magnesium oxide / water / 10 h / 80 - 85 °C / 6000.6 - 6750.68 Torr 3: potassium phosphate / water; tert-butyl methyl ether / 35 h / 100 - 125 °C / Sealed tube View Scheme

: 13656-36-5
2,4,6-trifluoro-3,5-dichlorobenzoic acid

: 2713-34-0
3,5-difluorophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: palladium 10% on activated carbon; hydrogen; magnesium oxide / water / 10 h / 80 - 85 °C / 6000.6 - 6750.68 Torr 2: potassium phosphate / water; tert-butyl methyl ether / 35 h / 100 - 125 °C / Sealed tube View Scheme

: 20925-85-3
pentachlorobenzonitrile

: 2713-34-0
3,5-difluorophenol

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: potassium fluoride; tetraphenylphosphonium bromide / 20 h / 200 - 210 °C 2: palladium 10% on activated carbon; hydrogen; magnesium oxide / water / 10 h / 80 - 85 °C / 6000.6 - 6750.68 Torr 3: palladium 10% on activated carbon; hydrogen; magnesium oxide / water / 10 h / 80 - 85 °C / 6000.6 - 6750.68 Torr 4: potassium phosphate / water; tert-butyl methyl ether / 35 h / 100 - 125 °C / Sealed tube View Scheme

Yield

Multi-step reaction with 4 steps
1: potassium fluoride; tetraphenylphosphonium bromide / 20 h / 200 - 210 °C
2: palladium 10% on activated carbon; hydrogen; magnesium oxide / water / 10 h / 80 - 85 °C / 6000.6 - 6750.68 Torr
3: palladium 10% on activated carbon; hydrogen; magnesium oxide / water / 10 h / 80 - 85 °C / 6000.6 - 6750.68 Torr
4: potassium phosphate / water; tert-butyl methyl ether / 35 h / 100 - 125 °C / Sealed tube
View Scheme

: 2713-34-0
3,5-difluorophenol

: 74-88-4
methyl iodide

: 93343-10-3
3,5-difluoroanisol

Conditions

Conditions	Yield
With potassium carbonate In acetone at 40℃; for 5h;	100%
With potassium carbonate In acetone at 60℃; for 18h;	80%
With potassium carbonate In acetone at 60℃; for 18h;	80%
With hydrogenchloride In tetrahydrofuran

: 2713-34-0
3,5-difluorophenol

: 58479-61-1
tert-butylchlorodiphenylsilane

: 701266-25-3
(tert-butyl)(3,5-difluorophenoxy)diphenylsilane

Conditions

Conditions	Yield
With 1H-imidazole In dichloromethane at 0℃; for 3.75h;	100%

: 2713-34-0
3,5-difluorophenol

: 62-53-3
aniline

: 663602-53-7
3,5-difluoro-4-(phenyldiazenyl)phenol

Conditions

Conditions	Yield
Stage #1: aniline With hydrogenchloride; sodium nitrite In water at 0 - 5℃; Stage #2: With aminosulfonic acid In water Stage #3: 3,5-difluorophenol With hydrogenchloride; sodium hydroxide more than 3 stages;	100%

: 2713-34-0
3,5-difluorophenol

: 627-30-5
1-chloro-3-hydroxypropane

: 3-(3,5-difluorophenoxy)propan-1-ol

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 0 - 80℃; Large scale;	100%

: 50-00-0
formaldehyd

: 2713-34-0
3,5-difluorophenol

: 136516-64-8
2,4-difluoro-6-hydroxy-benzaldehyde

Conditions

Conditions	Yield
Stage #1: 3,5-difluorophenol With triethylamine; magnesium chloride In acetonitrile at 20℃; Inert atmosphere; Stage #2: formaldehyd In acetonitrile at 20 - 80℃; Inert atmosphere; Stage #3: With hydrogenchloride; water In acetonitrile	100%
With triethylamine; magnesium chloride In acetonitrile at 60℃; for 16h;	82%
With triethylamine; magnesium chloride In acetonitrile at 60℃; for 16h;	82%
With triethylamine; magnesium chloride In acetonitrile at 60℃; for 14h;

: 2713-34-0
3,5-difluorophenol

: 7051-34-5
cyclopropylcarbinyl bromide

: 1369905-00-9
1-(cyclopropylmethoxy)-3,5-difluorobenzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 20℃;	100%
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 16h;	90%

: 558-30-5
2-methyl-1,2-epoxypropane

: 2713-34-0
3,5-difluorophenol

: 1340190-63-7
1-(3,5-difluorophenoxy)-2-methylpropan-2-ol

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 150℃; for 0.5h; Microwave irradiation;	100%
With sodium dihydrogenphosphate; water; potassium carbonate In acetonitrile at 140℃; for 6h; steel bomb;	79%

: 2713-34-0
3,5-difluorophenol

: 124-63-0
methanesulfonyl chloride

: 1149745-39-0
3,5-difluorophenyl methanesulfonate

Conditions

Conditions	Yield
With triethylamine In ethyl acetate at 0 - 20℃; for 0.166667h; Green chemistry;	99%
With pyridine In dichloromethane at 0 - 20℃; Inert atmosphere;	81%

: 2713-34-0
3,5-difluorophenol

: 67820-94-4
3,4-bis(4-methoxyphenyl)-6-chloropyridazine

: 3,4-bis(4-methoxyphenyl)-6-(3,5-difluorophenoxy)pyridazine

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 150℃; for 6h;	98%
at 150℃; for 6h;	98%

: 1039643-44-1
5,5a-didehydro-2,3-O-[(2R,3R)-2,3-dimethoxybutane-2,3-diyl]-4,6-O-isopropylidene-5a-carba-β-D-xylohexopyranose

: 2713-34-0
3,5-difluorophenol

: C22H28F2O7

Conditions

Conditions	Yield
Stage #1: 5,5a-didehydro-2,3-O-[(2R,3R)-2,3-dimethoxybutane-2,3-diyl]-4,6-O-isopropylidene-5a-carba-β-D-xylohexopyranose; 3,5-difluorophenol With triphenylphosphine In tetrahydrofuran at 0℃; for 0.333333h; Inert atmosphere; Stage #2: With di-isopropyl azodicarboxylate In tetrahydrofuran at 20℃; for 24h; Inert atmosphere;	97%

: 2713-34-0
3,5-difluorophenol

: 459-46-1
4-Fluorobenzyl bromide

: 636795-71-6
3,5-difluoro-(4-fluoro-benzyloxy)-benzene

Conditions

Conditions	Yield
With potassium carbonate In diethyl ether; acetone	96%
With potassium carbonate In acetone for 6h; Heating / reflux;	96%

: 2713-34-0
3,5-difluorophenol

: 98-59-9
p-toluenesulfonyl chloride

: 3,5-difluorophenyl tosylate

Conditions

Conditions	Yield
With potassium carbonate In tetrahydrofuran; water at 0 - 20℃; for 2h; Green chemistry;	96%

: 2713-34-0
3,5-difluorophenol

: 88-10-8
N,N-diethylcarbamyl chloride

: O-3,5-difluorophenyl N,N-diethylcarbamate

Conditions

Conditions	Yield
Stage #1: 3,5-difluorophenol With sodium hydroxide In tetrahydrofuran for 0.166667h; Stage #2: N,N-diethylcarbamyl chloride In tetrahydrofuran at 20℃; for 24h;	96%

: 109-86-4
2-methoxy-ethanol

: 2713-34-0
3,5-difluorophenol

: 1355011-33-4
1,3-difluoro-5-(2-methoxyethoxy)benzene

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 18h;	95%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 18h;	95%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃; for 18h;	95%

: 109-65-9
1-bromo-butane

: 2713-34-0
3,5-difluorophenol

: 123843-64-1
1-butoxy-3,5-difluorobenzene

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 2h;	94%
With potassium carbonate In acetone for 24h; Heating;	90%

: 2713-34-0
3,5-difluorophenol

: 1795-48-8
Isopropyl isocyanate

: 899427-17-9
3,5-difluorophenyl isopropylcarbamate

Conditions

Conditions	Yield
	94%

: 2713-34-0
3,5-difluorophenol

: 141699-55-0
tert-butyl 3-hydroxyazetidine-1-carboxylate

: tert-butyl 3-(3,5-d ifluorophenoxy)azetidine-1-carboxylate

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 60℃; for 48h;	94%
With di-isopropyl azodicarboxylate; triphenylphosphine In dichloromethane at 0 - 20℃; for 18h;

: 2713-34-0
3,5-difluorophenol

: 50594-78-0
5-fluoro-2-nitrobenzonitrile

: 1231250-71-7
5-(3,5-difluoro-phenoxy)-2-nitro-benzonitrile

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 20℃; for 1h;	93%

: 2713-34-0
3,5-difluorophenol

: 93777-26-5
5-bromo-2-fluorobenzaldehyde

: C13H7BrF2O2

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl acetamide at 80℃; for 1.5h; Inert atmosphere;	93%

: 2713-34-0
3,5-difluorophenol

: 94-09-7
p-aminoethylbenzoate

: 2,6-difluoro-4-hydroxyazobenzene-4'-carboxylic acid

Conditions

Conditions	Yield
Stage #1: p-aminoethylbenzoate With sulfuric acid; sodium nitrite In water; acetic acid at 5℃; for 0.5h; Stage #2: 3,5-difluorophenol With sodium hydroxide In water at 5℃; Stage #3: With hydrogenchloride In water	92%

: 2713-34-0
3,5-difluorophenol

: 6609-64-9
2-Chloro-2-oxo-1,3,2-dioxaphospholane

: C8H7F2O4P

Conditions

Conditions	Yield
In dichloromethane at 0 - 20℃; for 12h;	92%

: 2713-34-0
3,5-difluorophenol

: 822-39-9
2-chloro-1,3,2-dioxaphospholan

: 2-(3,5-difluorophenoxy)-1,3,2-dioxaphospholane

Conditions

Conditions	Yield
Stage #1: 3,5-difluorophenol In dichloromethane at 20℃; for 0.5h; Stage #2: 2-chloro-1,3,2-dioxaphospholan In dichloromethane at 0 - 20℃; for 12h;	92%

: 2713-34-0
3,5-difluorophenol

: 18162-48-6
tert-butyldimethylsilyl chloride

: 917827-99-7
tert-butyl (3,5-difluorophenoxy)dimethylsilane

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 0 - 20℃; for 0.333333h;	91%
Stage #1: 3,5-difluorophenol With 1H-imidazole In N,N-dimethyl-formamide at 0℃; for 0.166667h; Stage #2: tert-butyldimethylsilyl chloride In N,N-dimethyl-formamide; toluene at 20℃; for 1h;	88.7%
With 1H-imidazole In N,N-dimethyl-formamide at 0℃; for 3h;	73%

: 1067648-52-5
5,6-anhydro-2,3-dideoxy-2-methyl-D-glucono-1,4-lactone

: 2713-34-0
3,5-difluorophenol

: 1067648-53-6
C13H14F2O4

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 4h;	91%

: 2713-34-0
3,5-difluorophenol

: 3,5-dibromo-1-(2,2-difluoroethyl)-1H-1,2,4-triazole

: 3-bromo-1-(2,2-difluoroethyl)-5-(3,5-difluorophenoxy)-1H-1,2,4-triazole

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 20h; Sealed tube;	91%

: 74-96-4
ethyl bromide

: 2713-34-0
3,5-difluorophenol

: 144891-25-8
3,5-difluorophenyl ethyl ether

Conditions

Conditions	Yield
With trimethylbenzylammonium bromide; sodium hydroxide In water; N,N-dimethyl-formamide; toluene at 30℃; Reflux; Industrial scale;	90.7%

: 2081-44-9
Tetrahydro-pyran-4-ol

: 2713-34-0
3,5-difluorophenol

: 1395282-21-9
4-(3,5-difluorophenoxy)tetrahydro-2H-pyran

Conditions

Conditions	Yield
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 0 - 20℃;	90%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃;	90%
With di-isopropyl azodicarboxylate; triphenylphosphine In tetrahydrofuran at 20℃;	90%

: 2713-34-0
3,5-difluorophenol

: C31H28Br4O3

: C55H40F8O7

Conditions

Conditions	Yield
With potassium carbonate In N,N-dimethyl-formamide at 60℃; for 6h; Inert atmosphere; Schlenk technique;	90%

: 2713-34-0
3,5-difluorophenol

: 100-44-7
benzyl chloride

: 176175-97-6
1-benzyloxy-3,5-difluorobenzene

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 100℃; for 1h;	89%

3,5-Difluorophenol 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

Product Name

3,5-Difluorophenol

Synthetic route

3,5-Difluorophenol Specification

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