2-(2,6-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Basic Information

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CAS Number

863868-37-5

Molecular Formula

C12H15BF2O2

Molecular Weight

240.06 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

281.7±30.0°C at 760 mmHg

Density

1.11

Flash Point

124.2°C

Refractive Index

1.468

SMILES

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CC1(C)OB(OC1(C)C)c2c(F)cccc2F

InChI

InChI=1S/C12H15BF2O2/c1-11(2)12(3,4)17-13(16-11)10-8(14)6-5-7-9(10)15/h5-7H,1-4H3

InChIKey

ADHKLRLGCVHQCG-UHFFFAOYSA-N

LogP

2.2640000000000002

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

270

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

2-(2,6-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1,3,2-Dioxaborolane,2-(2,6-difluorophenyl)-4,4,5,5-tetramethyl-
2,6-DIFLUOROBENZENEBORONIC ACID, PINACOL ESTER
2,6-Difluorophenylboronic Acid Pinacol Ester
2,6-DifluoroBenzeneBoronicacid,pinacolester
2,6-Difluorophenylboronic acid, pinacol ester
1,3,2-DIOXABOROLANE, 2-(2,6-DIFLUOROPHENYL)-4,4,5,5-TETRAMETHYL-
ADHKLRLGCVHQCG-UHFFFAOYSA-N
SBB099198
MB07695
BC001573
2,6-DifluorophenylboronicAcidPinacolEste

MDL Number

MFCD09801043

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-(2,6-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 863868-37-5)?

2-(2,6-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is a colorless, crystalline solid with a molecular weight of 283.12 g/mol. It has a low solubility in water but is soluble in organic solvents. Chemically, it is highly reactive, particularly in boron-catalyzed reactions.

How is 2-(2,6-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 863868-37-5) typically synthesized?

2-(2,6-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is typically synthesized via a boronation reaction of 2,6-difluorophenylboronic acid with tetramethyl-1,3,2-dioxaborolane in the presence of a palladium catalyst and a base. The reaction is highly selective and yields a high product purity.

What industries use 2-(2,6-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 863868-37-5)?

2-(2,6-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is primarily used in pharmaceuticals, where it serves as a versatile building block for the synthesis of complex molecules. It is also utilized in the polymer industry for the development of functional polymers and in the semiconductor industry for the fabrication of advanced materials.

What precautions should be taken when handling 2-(2,6-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 863868-37-5)?

When handling 2-(2,6-Difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and lab coats. Work in a well-ventilated area or a fume hood. Follow standard laboratory safety protocols and keep a copy of the Safety Data Sheet (SDS) readily available for reference. Spills should be cleaned up immediately using appropriate materials as outlined in the SDS.