ChemicalBook--->CAS DataBase List--->819849-20-2

819849-20-2

819849-20-2 Structure

819849-20-2 Structure
IdentificationMore
[Name]

2-Fluoro-5-nitrophenylboronic acid
[CAS]

819849-20-2
[Synonyms]

2-FLUORO-5-NITROBENZENEBORONIC ACID
2-FLUORO-5-NITROPHENYLBORONIC ACID
5-NITRO-2-FLUOROPHENYLBORONIC ACID
[Molecular Formula]

C6H5BFNO4
[MDL Number]

MFCD03092929
[Molecular Weight]

184.92
[MOL File]

819849-20-2.mol
Questions And AnswerBack Directory
[Synthesis]

2-Fluoro-5-nitrophenylboronic acid was synthesized using 3-bromo-4-fluoronitrobenzene as a raw material, pinacol diboronate [B2(pin)2] as a boron reagent, and K3PO4·7H2O as a base, under the catalysis of chloro(2-dicyclohexylphosphino-2,4,6-triisopropyl-1,1-biphenyl)[2-(2-amino-1,1-biphenyl)]palladium(II) (Xphos-Pd-G2) and 2-dicyclohexylphosphino-2,4,6-triisopropylbiphenyl (Xphos). The synthetic reaction formula is shown in the figure below:

Synthesis of 819849-20-2

Chemical PropertiesBack Directory
[Boiling point ]

366.8±52.0 °C(Predicted)
[density ]

1.49±0.1 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[form ]

Powder
[pka]

6.72±0.58(Predicted)
[color ]

White
[Water Solubility ]

Slightly soluble in water.
[InChI]

InChI=1S/C6H5BFNO4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3,10-11H
[InChIKey]

SYAFEPQKPQIRAL-UHFFFAOYSA-N
[SMILES]

B(C1=CC([N+]([O-])=O)=CC=C1F)(O)O
[CAS DataBase Reference]

819849-20-2(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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
[HazardClass ]

IRRITANT
[HS Code ]

2931900090
Hazard InformationBack Directory
[Uses]

2-Fluoro-5-nitrobenzeneboronic acid is employed as a important raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Fluoro-5-nitrophenylboronic acid(819849-20-2)1HNMR
2-Fluoro-5-nitrophenylboronic acid(819849-20-2)FT-IR
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