CAS No.6418-38-8,2,3-Difluorophenol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6418-38-8
Name:	2,3-Difluorophenol
Article Data:	27

Formula:	C₆H₄F₂O
Molecular Weight:	130.094
Synonyms:	2,3-Difluoro-phenol;2,3-Dmuorophenol;Phenol, 2,3-difluoro-;
EINECS:	264-750-2
Density:	1.351 g/cm³
Melting Point:	39-42 °C(lit.)
Boiling Point:	141.2 °C at 760 mmHg
Flash Point:	50.8 °C
Appearance:	white crystalline low melting mass
Hazard Symbols:	F; Xi; Xn; C
Risk Codes:	11-36/37/38-34-20/21/22
Safety:	26-45-36/37/39-16
Transport Information:	UN 1325 4.1/PG 2
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;

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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