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CAS No.: | 168267-41-2 |
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Name: | 3,4-Difluorophenylboronic acid |
Article Data: | 3 |
Molecular Structure: | |
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: | Xn,Xi |
Risk Codes: | 36/37/38-22 |
Safety: | 37/39-26-36 |
PSA: | 40.46000 |
LogP: | -0.35540 |
3,4-difluorophenylmagnesium bromide
(3,4-difluorophenyl)boronic acid
Conditions | Yield |
---|---|
With Triisopropyl borate In tetrahydrofuran at -40 - 0℃; | 41% |
C6H3BF5(1-)
(3,4-difluorophenyl)boronic acid
Conditions | Yield |
---|---|
In phosphate buffer pH=6.9 - 7.0; Kinetics; |
(3,4-difluorophenyl)boronic acid
Conditions | Yield |
---|---|
With hydrogenchloride; water In tetrahydrofuran pH=5; |
3-bromo-5-methylpyridin-2-amine
(3,4-difluorophenyl)boronic acid
3-(3,4-difluorophenyl)-5-methylpyridin-2-amine
Conditions | Yield |
---|---|
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% |
(3,4-difluorophenyl)boronic acid
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; sodium carbonate In tetrahydrofuran; water at 100℃; for 2h; Suzuki Coupling; Microwave irradiation; Inert atmosphere; Sealed tube; | 100% |
Conditions | Yield |
---|---|
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% |
4-amino-8-bromo-N-propyl-cinnoline-3-carboxamide
(3,4-difluorophenyl)boronic acid
Conditions | Yield |
---|---|
98.7% |
para-nitrophenyl bromide
(3,4-difluorophenyl)boronic acid
3,4-difluoro-4'-nitro-1,1'-biphenyl
Conditions | Yield |
---|---|
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% |
1-bromo-4-methoxy-benzene
(3,4-difluorophenyl)boronic acid
Conditions | Yield |
---|---|
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% |
4-bromobenzenecarbonitrile
(3,4-difluorophenyl)boronic acid
3',4'-difluoro-(1,1'-biphenyl)-4-carbonitrile
Conditions | Yield |
---|---|
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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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
3.4-Difloromethylboronic acid (CAS NO.168267-41-2) is used as intermediates of liquid crystals.
Hazard Codes: Xn, Xi
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
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.