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Cas Database |
| Name |
3,4-Difluorophenylboronic acid |
EINECS | N/A |
| CAS No. | 168267-41-2 | Density | 1.35 g/cm3 |
| PSA | 40.46000 | LogP | -0.35540 |
| Solubility | N/A | Melting Point |
289-290 °C |
| Formula | C6H5BF2O2 | Boiling Point | 265.4 °C at 760 mmHg |
| Molecular Weight | 157.912 | Flash Point | 114.3 °C |
| Transport Information | N/A | Appearance | white powder |
| Safety | 37/39-26-36 | Risk Codes | 36/37/38-22 |
| Molecular Structure |
|
Hazard Symbols |
 Xn, Xi
|
| Synonyms |
3,4-Difluorobenzene boronic acid;3,4-difluorophenylboronicacid; |
Article Data | 3 |
3,4-Difluorophenylboronic acid Synthetic route
- 90897-92-0
3,4-difluorophenylmagnesium bromide
- 168267-41-2
(3,4-difluorophenyl)boronic acid
| Conditions | Yield |
|---|---|
| With Triisopropyl borate In tetrahydrofuran at -40 - 0℃; | 41% |
- 1033691-65-4
C6H3BF5(1-)
- 168267-41-2
(3,4-difluorophenyl)boronic acid
| Conditions | Yield |
|---|---|
| In phosphate buffer pH=6.9 - 7.0; Kinetics; |
- 168267-41-2
(3,4-difluorophenyl)boronic acid
| Conditions | Yield |
|---|---|
| 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 | 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% |
- 168267-41-2
(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% |
- 107346-32-7
4-amino-8-bromo-N-propyl-cinnoline-3-carboxamide
- 168267-41-2
(3,4-difluorophenyl)boronic acid
| Conditions | Yield |
|---|---|
| 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 | 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% |
- 104-92-7
1-bromo-4-methoxy-benzene
- 168267-41-2
(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% |
- 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 | 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% |
3,4-Difluorophenylboronic acid Chemical Properties
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-Difluorophenylboronic acid Uses
3.4-Difloromethylboronic acid (CAS NO.168267-41-2) is used as intermediates of liquid crystals.
3,4-Difluorophenylboronic acid Safety Profile
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-Difluorophenylboronic acid 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.
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