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Basic Information
CAS No.: 168267-41-2
Name: 3,4-Difluorophenylboronic acid
Article Data: 3
Molecular Structure:
Molecular Structure of 168267-41-2 (3,4-Difluorophenylboronic acid)
Formula: C6H5BF2O2
Molecular Weight: 157.912
Synonyms: 3,4-Difluorobenzene boronic acid;3,4-difluorophenylboronicacid;
Density: 1.35 g/cm3
Melting Point: 289-290 °C
Boiling Point: 265.4 °C at 760 mmHg
Flash Point: 114.3 °C
Appearance: white powder
Hazard Symbols: HarmfulXn,IrritantXi
Risk Codes: 36/37/38-22
Safety: 37/39-26-36
PSA: 40.46000
LogP: -0.35540
Synthetic route
90897-92-0

3,4-difluorophenylmagnesium bromide

168267-41-2

(3,4-difluorophenyl)boronic acid

Conditions
ConditionsYield
With Triisopropyl borate In tetrahydrofuran at -40 - 0℃;41%
1033691-65-4

C6H3BF5(1-)

168267-41-2

(3,4-difluorophenyl)boronic acid

Conditions
ConditionsYield
In phosphate buffer pH=6.9 - 7.0; Kinetics;

C14H21BF2O2

168267-41-2

(3,4-difluorophenyl)boronic acid

Conditions
ConditionsYield
With hydrogenchloride; water In tetrahydrofuran pH=5;
17282-00-7

3-bromo-5-methylpyridin-2-amine

168267-41-2

(3,4-difluorophenyl)boronic acid

1340487-51-5

3-(3,4-difluorophenyl)-5-methylpyridin-2-amine

Conditions
ConditionsYield
With sodium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In 1,4-dioxane; water at 100℃; for 1h; Inert atmosphere;100%
With sodium carbonate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In 1,4-dioxane; water at 100℃; for 1h; Suzuki Coupling; Inert atmosphere;100%

methyl 2-(4-bromophenyl)-2-pivalamidoacetate

168267-41-2

(3,4-difluorophenyl)boronic acid

methyl 2-(3',4'-difluoro-[1,1'-biphenyl]-4-yl)-2-pivalamidoacetate

Conditions
ConditionsYield
With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate In tetrahydrofuran; water at 100℃; for 2h; Suzuki Coupling; Microwave irradiation; Inert atmosphere; Sealed tube;100%
126-30-7

2,2-Dimethyl-1,3-propanediol

168267-41-2

(3,4-difluorophenyl)boronic acid

C11H13BF2O2

Conditions
ConditionsYield
Stage #1: 2,2-Dimethyl-1,3-propanediol; (3,4-difluorophenyl)boronic acid In diethyl ether at 20℃; for 1h;
Stage #2: With calcium chloride at 20℃; for 1h;
100%
107346-32-7

4-amino-8-bromo-N-propyl-cinnoline-3-carboxamide

168267-41-2

(3,4-difluorophenyl)boronic acid

4-amino-8-(3,4-difluorophenyl)-N-propyl-cinnoline-3-carboxamide

Conditions
ConditionsYield
98.7%
586-78-7

para-nitrophenyl bromide

168267-41-2

(3,4-difluorophenyl)boronic acid

954369-63-2

3,4-difluoro-4'-nitro-1,1'-biphenyl

Conditions
ConditionsYield
With sodium carbonate In water at 25℃; for 6.5h; Suzuki Coupling;98%
With sodium carbonate at 80℃; for 1.16667h; Catalytic behavior; Suzuki Coupling;97%
With sodium carbonate at 100℃; for 0.75h; Suzuki-Miyaura Coupling;95%
104-92-7

1-bromo-4-methoxy-benzene

168267-41-2

(3,4-difluorophenyl)boronic acid

3',4'-difluoro-4-methoxy-1,1'-biphenyl

Conditions
ConditionsYield
With Ph2P(CH2CH2O)22CH3; triethylamine; palladium dichloride In water at 80℃; for 2h; Suzuki coupling; Inert atmosphere;98%
With sodium carbonate at 100℃; for 2.5h; Suzuki-Miyaura Coupling;91%
623-00-7

4-bromobenzenecarbonitrile

168267-41-2

(3,4-difluorophenyl)boronic acid

151559-21-6

3',4'-difluoro-(1,1'-biphenyl)-4-carbonitrile

Conditions
ConditionsYield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,2-dimethoxyethane Suzuki Coupling; Reflux; Inert atmosphere;98%
With sodium carbonate at 80℃; for 1.5h; Catalytic behavior; Suzuki Coupling;97%
With Ph2P(CH2CH2O)22CH3; triethylamine; palladium dichloride In water at 80℃; for 1h; Suzuki coupling; Inert atmosphere;96%
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  • CAS168267-41-2   3,4-Difluorophenylboronic acid

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    3,4-Difluorophenylboronic acid

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Chemistry

Molecule structure of 3.4-Difloromethylboronic acid (CAS NO.168267-41-2):

IUPAC Name: (3,4-Difluorophenyl)boronic acid 
Molecular Weight: 157.910506 g/mol
Molecular Formula: C6H5BF2O2 
Density: 1.35 g/cm3 
Melting Point: 289-290 °C
Boiling Point: 251 °C at 760 mmHg 
Flash Point: 105.6 °C
Index of Refraction: 1.485
Molar Refractivity: 33.51 cm3
Molar Volume: 116.7 cm3
Surface Tension: 36.1 dyne/cm 
Enthalpy of Vaporization: 51.6 kJ/mol
Vapour Pressure: 0.011 mmHg at 25 °C 
Storage Temp.: refrigerator (+4 °C)
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 158.035066
MonoIsotopic Mass: 158.035066
Topological Polar Surface Area: 40.5
Heavy Atom Count: 11
Canonical SMILES: B(C1=CC(=C(C=C1)F)F)(O)O
InChI: InChI=1S/C6H5BF2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChIKey: RMGYQBHKEWWTOY-UHFFFAOYSA-N
Product Categories: Fluorin-contained phenyl boronic acid series; HALIDE; blocks; BoronicAcids; FluoroCompounds; Substituted Boronic Acids; Boronic Acid; Aryl; Halogenated; Organoborons; Boronic Acids; Boronic Acids and Derivatives; Boronic Acids

Uses

 3.4-Difloromethylboronic acid (CAS NO.168267-41-2) is used as intermediates of liquid crystals.

Safety Profile

Hazard Codes: HarmfulXn, IrritantXi
Risk Statements: 36/37/38-22 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R22:Harmful if swallowed.
Safety Statements: 37/39-26-36 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
Hazard Note: Irritant 

Specification

 3.4-Difloromethylboronic acid (CAS NO.168267-41-2) is also named as (2,4-Difluorophenyl)boronic acid ; Boronic acid, B-(2,4-difluorophenyl)- ; (2,4-Difluorophenyl)Boranediol ; 2,4-Difluorobenzeneboronic acid ; 2,4-Difluorophenylboronic acid .  3.4-Difloromethylboronic acid (CAS NO.168267-41-2) is white powder.