2,3-Difluorophenol supplier

Name
2,3-Difluorophenol
EINECS 264-750-2
CAS No. 6418-38-8
Article Data27
CAS DataBase
Density 1.351 g/cm³
Solubility
Melting Point 39-42 °C(lit.)
Formula C₆H₄F₂O
Boiling Point 141.2 °C at 760 mmHg
Molecular Weight 130.094
Flash Point 50.8 °C
Transport Information UN 1325 4.1/PG 2
Appearance white crystalline low melting mass
Safety 26-45-36/37/39-16
Risk Codes 11-36/37/38-34-20/21/22
Molecular Structure
Hazard Symbols F; Xi; Xn; C
Synonyms 2,3-Difluoro-phenol;2,3-Dmuorophenol;Phenol, 2,3-difluoro-;
PSA 20.23000
LogP 1.67040

Synthetic route

: 367-11-3
ortho-difluorobenzene

: 6418-38-8
2,3-difluorophenol

Conditions

Conditions	Yield
Stage #1: ortho-difluorobenzene With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Stage #2: With Trimethyl borate In tetrahydrofuran for 16h; Stage #3: With dihydrogen peroxide In tetrahydrofuran for 3h;	96.49%
Stage #1: ortho-difluorobenzene With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Stage #2: With Trimethyl borate In tetrahydrofuran for 16h; Stage #3: With dihydrogen peroxide In tetrahydrofuran for 3h;	93.96%
With n-butyllithium; Triisopropyl borate; dihydrogen peroxide 1.) THF/hexane, -78 deg C, 2.5 h; 2.) THF/hexane, rt.; 3.) ether, 2.5 h, reflux; Yield given. Multistep reaction;

: 121219-16-7
(2,3-difluorophenyl)boronic acid

: 6418-38-8
2,3-difluorophenol

Conditions

Conditions	Yield
With dihydrogen peroxide In diethyl ether for 2.5h; Oxidation; Heating;	100%
With 10-methylacridine-3(10H)-one; oxygen; N-ethyl-N,N-diisopropylamine In water at 20℃; for 20h; Irradiation; Green chemistry;	98%
With dihydrogen peroxide In diethyl ether; water Reflux;	94%

: 1-ethoxy-2,3-difluorobenzene

: 6418-38-8
2,3-difluorophenol

Conditions

Conditions	Yield
With iron(III) chloride In diethyl ether at 30℃; for 5h; Temperature; Reagent/catalyst; Solvent;	12.3 g
With boron trifluoride diethyl etherate In tetrahydrofuran at 50℃; for 10h;	12.8 g

: 124728-93-4
1,2-difluoro-3-n-propoxybenzene

: 6418-38-8
2,3-difluorophenol

Conditions

Conditions	Yield
With iron(III) chloride In ethanol at 30℃; for 3h;	10.6 g

: 134364-69-5
2.3-difluoroanisole

: 6418-38-8
2,3-difluorophenol

Conditions

Conditions	Yield
With aluminum (III) chloride In methanol at 30℃; for 5h; Solvent;	11.6 g

: 1,1,2-Trifluoro-7-oxabicyclo[2.2.1]hept-4-ene

: 6418-38-8
2,3-difluorophenol

Conditions

Conditions	Yield
With lithium diisopropyl amide In tetrahydrofuran at -70 - 20℃; for 3.5h; Elimination; Aromatization;	25%

: 1489-53-8
1,2,3-trifluorobenzene

: 6418-38-8
2,3-difluorophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium hydroxide / 20 h / 50 °C 2: aluminum (III) chloride / methanol / 5 h / 30 °C View Scheme
Multi-step reaction with 2 steps 1: sodium hydroxide / 15 h / 50 °C 2: iron(III) chloride / diethyl ether / 5 h / 30 °C View Scheme

: C12H17BF2O2

: 6418-38-8
2,3-difluorophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 100 percent / 10 percent aq. HCl / 1 h / 20 °C 2: 100 percent / 10 percent aq. H2O2 / diethyl ether / 2.5 h / Heating View Scheme

: C8H9BF2O2

: 6418-38-8
2,3-difluorophenol

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: hydrogenchloride; water / tetrahydrofuran 2: dihydrogen peroxide / diethyl ether; water / 1 h / Reflux View Scheme

: 2646-91-5
2,3-difluorobenzaldehyde

A: 6418-38-8
2,3-difluorophenol

B: 4519-39-5
2,3-difluorobenzoic acid

Conditions

Conditions	Yield
With 4-hydroxyacetophenone monooxygenase from P. fluorescens ACB; oxygen; NADPH In phosphate buffer at 30℃; for 1h; pH=8.0; Enzyme kinetics; Baeyer-Villiger oxidation;

: 1489-53-8
1,2,3-trifluorobenzene

A: 6418-38-8
2,3-difluorophenol

B: 363-52-0
3-fluorocatechol

Conditions

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

: 1489-53-8
1,2,3-trifluorobenzene

A: 6418-38-8
2,3-difluorophenol

B: 363-52-0
3-fluorocatechol

C: 1,2,3-trihydroxy-4,5,6-trifluorobenzene

Conditions

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

...Expand

: 2,3-difluomuconate

A: 6418-38-8
2,3-difluorophenol

B: 5-fluoroprotoanemonin

C: 5-fluoromaleylacetate

Conditions

Conditions	Yield
With chloromuconate cycloisomerase Product distribution; Cyclization; Enzymatic reaction;

...Expand

: 6418-38-8
2,3-difluorophenol

: 74-88-4
methyl iodide

: 134364-69-5
2.3-difluoroanisole

Conditions

Conditions	Yield
With potassium carbonate In dimethyl sulfoxide at 20℃;	100%
With potassium carbonate In acetone at 20 - 30℃; for 16h; Inert atmosphere;	100%
With potassium carbonate In dimethyl sulfoxide at 20℃; for 0.5h;	78%

: 6418-38-8
2,3-difluorophenol

: 75-36-5
acetyl chloride

: 851936-86-2
2,3-difluorophenyl acetate

Conditions

Conditions	Yield
With pyridine In dichloromethane at 0 - 20℃; for 16h;	100%
With pyridine In dichloromethane at 0 - 20℃; for 16h;	100%
With pyridine In dichloromethane at 0 - 20℃; for 16h;	100%
With pyridine In dichloromethane for 2h;	99%
With pyridine In dichloromethane at 20℃; for 2h;

: 6418-38-8
2,3-difluorophenol

: 75-03-6
ethyl iodide

: 1-ethoxy-2,3-difluorobenzene

Conditions

Conditions	Yield
With potassium carbonate In acetone at 70℃; for 3h; Inert atmosphere;	100%
With potassium carbonate In acetone at 70℃; for 5h;	99.4%

: 6418-38-8
2,3-difluorophenol

: 79-04-9
chloroacetyl chloride

: 2,3-difluorophenyl-2-chloroacetate

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃;	100%

: 6418-38-8
2,3-difluorophenol

: 107-30-2
chloromethyl methyl ether

: 1,2-difluoro-3-(methoxymethoxy)benzene

Conditions

Conditions	Yield
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; for 2h;	99.4%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 0℃; for 2h;	99.4%
With N-ethyl-N,N-diisopropylamine In dichloromethane at 25℃; for 2h;	82%

: 6418-38-8
2,3-difluorophenol

: 3647-69-6
4-(2-chloroethyl)morpholine hydrochride

: 4-(2-(2,3-difluorophenoxy)ethyl)morpholine

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide; caesium carbonate In acetonitrile at 65℃; for 4h;	99%

: 448-19-1
4-fluoro-2-methoxy-1-nitrobenzene

: 6418-38-8
2,3-difluorophenol

: 4-(2,3-difluoro-phenoxy)-2-methoxy-1-nitro-benzene

Conditions

Conditions	Yield
With caesium carbonate In N,N-dimethyl-formamide at 120℃; for 3h;	98%

: 629-04-9
1-Bromoheptane

: 6418-38-8
2,3-difluorophenol

: 122265-84-3
2,3-difluoro-4-(heptyloxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In butanone Heating / reflux;	97%
With potassium carbonate In ethyl acetate Heating;	90%
With potassium carbonate In acetone for 48h; Alkylation; Heating;
With potassium hydroxide In ethanol
With sodium hydroxide In dimethyl sulfoxide

: 693-58-3
1-Bromononane

: 6418-38-8
2,3-difluorophenol

: 122265-85-4
2,3-difluoro-4-(nonyloxy)benzene

Conditions

Conditions	Yield
With potassium carbonate In ethyl acetate Heating;	97%
With potassium carbonate In acetone for 48h; Alkylation; Heating;
With potassium hydroxide In ethanol

: 6418-38-8
2,3-difluorophenol

: 18162-48-6
tert-butyldimethylsilyl chloride

: 870646-82-5
2,3-difluoro-(tert-butyldimethylsilyloxy)benzene

Conditions

Conditions	Yield
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 3h;	97%
With dmap; triethylamine In dichloromethane at -15 - 0℃; Inert atmosphere;	147.1 g

: 74-96-4
ethyl bromide

: 6418-38-8
2,3-difluorophenol

: 1-ethoxy-2,3-difluorobenzene

Conditions

Conditions	Yield
With sodium hydroxide; tetrabutylammomium bromide In water at 80℃; for 6h; Inert atmosphere;	97%
With tetramethlyammonium chloride; sodium hydroxide In water; N,N-dimethyl-formamide; toluene at 30℃; Reflux; Industrial scale;	91.7%

: 111-25-1
1-bromo-hexane

: 6418-38-8
2,3-difluorophenol

: 121219-19-0
1,2-difluoro-3-hexyloxybenzene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 43h; Heating;	96%
With potassium carbonate In acetone for 48h; Alkylation; Heating;

: trans-4-chloromethyl-1-pentylcyclohexane

: 6418-38-8
2,3-difluorophenol

: 2,3-difluoro-4-(trans-4-pentylcyclohexylmethoxy)benzene

Conditions

Conditions	Yield
With potassium phosphate In N,N-dimethyl-formamide at 70℃; for 7h; Inert atmosphere;	95.1%

: 6418-38-8
2,3-difluorophenol

: 144292-53-5
1-(benzyloxy)-2,3-difluorobenzene

Conditions

Conditions	Yield
With potassium carbonate In water; N,N-dimethyl-formamide	95.1%

: 13154-24-0
triisopropylsilyl chloride

: 6418-38-8
2,3-difluorophenol

: 749230-30-6
(2,3-difluorophenoxy)triisopropylsilane

Conditions

Conditions	Yield
With 1H-imidazole at 20℃; for 18h;	95%
With 1H-imidazole In N,N-dimethyl-formamide at 25℃; for 20h;	94%
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 18h;
With 1H-imidazole In N,N-dimethyl-formamide at 20℃; for 18h;

: 6418-38-8
2,3-difluorophenol

: 32503-27-8
tetra(n-butyl)ammonium hydrogensulfate

: tetrabutylammonium 2,3‐difluorophenyl sulfate

Conditions

Conditions	Yield
Stage #1: 2,3-difluorophenol With chlorosulfonic acid; triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; Stage #2: With sodium hydroxide In dichloromethane; water Stage #3: tetra(n-butyl)ammonium hydrogensulfate In dichloromethane; water	95%

: 111-83-1
1-bromo-octane

: 6418-38-8
2,3-difluorophenol

: 121219-21-4
2,3-difluoro-1-n-octyloxybenzene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 12h; Heating;	93%
With potassium carbonate In butanone for 12h; Inert atmosphere; Reflux;	93%
With potassium carbonate In N,N-dimethyl-formamide for 6h; Heating;	92%

: 112-71-0
1-Bromotetradecane

: 6418-38-8
2,3-difluorophenol

: 1-tetradecyloxy-2,3-difluorobenzene

Conditions

Conditions	Yield
With potassium carbonate; potassium iodide In acetone for 48h; Reflux;	93%
With potassium carbonate; potassium iodide In acetone for 48h; Reflux;	93%
With potassium hydroxide In ethanol

: 6418-38-8
2,3-difluorophenol

: 143-15-7
1-dodecylbromide

: 122265-83-2
1,2-Difluoro-3-dodecyloxybenzene

Conditions

Conditions	Yield
With potassium carbonate In ethyl acetate Heating;	92%
With potassium carbonate In N,N-dimethyl-formamide for 6h; Heating;
With potassium hydroxide In ethanol

: 110-53-2
1-Bromopentane

: 6418-38-8
2,3-difluorophenol

: 156684-90-1
1,2-difluoro-3-pentyloxybenzene

Conditions

Conditions	Yield
With potassium carbonate In acetone for 48h; Alkylation; Heating;	92%
With potassium carbonate In butanone Heating;

: 6418-38-8
2,3-difluorophenol

: 313655-62-8
2-(2,3-Difluorophenoxy)-1-ethanol

Conditions

Conditions	Yield
	92%

: 6418-38-8
2,3-difluorophenol

: 107-08-4
1-iodo-propane

: 124728-93-4
1,2-difluoro-3-n-propoxybenzene

Conditions

Conditions	Yield
With sodium carbonate In ethanol; water	92%

: 6418-38-8
2,3-difluorophenol

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

: C8H7F2O4P

Conditions

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

: 6418-38-8
2,3-difluorophenol

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

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

Conditions

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

: 6418-38-8
2,3-difluorophenol

: 186590-23-8
6-bromo-2,3-difluoro-phenol

Conditions

Conditions	Yield
With bromine; tert-butylamine In dichloromethane; toluene at -78 - 20℃;	91%
With bromine; tert-butylamine In dichloromethane; toluene at -78 - 20℃; for 5.5h;	91%
With N-Bromosuccinimide; isopropylamine In dichloromethane at -30 - 20℃;	80%

: 6418-38-8
2,3-difluorophenol

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

: tert-butyl 3-(2,3-difluorophenoxy)azetidin-1-carboxylate

Conditions

Conditions	Yield
With triphenylphosphine In tetrahydrofuran at 70℃; for 20h;	91%

: 109-69-3
n-Butyl chloride

: 6418-38-8
2,3-difluorophenol

: 2,3-difluorophenyl butyl ether

Conditions

Conditions	Yield
With trimethylbenzylammonium bromide; potassium hydroxide In 5,5-dimethyl-1,3-cyclohexadiene; water; N,N-dimethyl-formamide at 30℃; Reflux; Industrial scale;	90.8%

: 540-54-5
1-Chloropropane

: 6418-38-8
2,3-difluorophenol

: 124728-93-4
1,2-difluoro-3-n-propoxybenzene

Conditions

Conditions	Yield
With tetrabutylammomium bromide; potassium hydroxide In water; N,N-dimethyl-formamide; toluene at 30℃; Reflux; Industrial scale;	90.6%

2,3-Difluorophenol Specification

The 2,3-Difluorophenol, with the CAS registry number 6418-38-8, is also known as Phenol, 2,3-difluoro-. And the molecular formula of this chemical is C₆H₄F₂O. It is a kind of white crystalline, and belongs to the following product categories: Other fluorin-contained compounds; Trifluoromethoxybenzene Series; Fluorobenzene; Alcohols and Derivatives; Aromatic Halides (substituted); Phenyls & Phenyl-Het; Phenol & Thiophenol & Mercaptan; Miscellaneous; Fluorophenols; Phenyls & Phenyl-Het; Organic Building Blocks; Oxygen Compounds; Phenols. What's more, it is used as intermediates of liquid crystals.

The physical properties of 2,3-Difluorophenol are as following: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 21.83; (6)ACD/BCF (pH 7.4): 14.76; (7)ACD/KOC (pH 5.5): 315.76; (8)ACD/KOC (pH 7.4): 213.46; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.495; (14)Molar Refractivity: 28.12 cm³; (15)Molar Volume: 96.2 cm³; (16)Polarizability: 11.14×10^-24cm³; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.351 g/cm³; (19)Flash Point: 50.8 °C; (20)Enthalpy of Vaporization: 39.4 kJ/mol; (21)Boiling Point: 141.2 °C at 760 mmHg; (22)Vapour Pressure: 4.74 mmHg at 25°C.

Uses of 2,3-Difluorophenol: It can react with 1-bromo-undecane to produce 2,3-difluoro-4-(undecyloxy)benzene. This reaction will need reagent K₂CO₃, and the solvent ethyl acetate. And the yield is about 83%.

2,3-Difluorophenol can react with 1-bromo-undecane to produce 2,3-difluoro-4-(undecyloxy)benzene

You should be cautious while dealing with this chemical. It is a kind of flammable chemical which irritates eyes, respiratory system and skin, and it is also harmful if swallowed. It is also harmful by inhalation, in contact with skin and if swallowed. What's more, it may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Keep away from sources of ignition; In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cccc(O)c1F
(2)InChI: InChI=1/C6H4F2O/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
(3)InChIKey: RPEPGIOVXBBUMJ-UHFFFAOYAH

Product Name

2,3-Difluorophenol

Synthetic route

2,3-Difluorophenol Specification

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