2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Basic Information

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CAS Number

876062-39-4

Molecular Formula

C12H16BFO2

Molecular Weight

222.07 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

Physical State

No data available

Melting Point

No data available

Boiling Point

284.6±23.0°C at 760 mmHg

Density

1.05±0.1 g/cm3 (20 ºC 760 Torr)

Flash Point

125.9±22.6℃

Refractive Index

1.4830 to 1.4870

SMILES

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B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2F

InChI

InChI=1S/C12H16BFO2/c1-11(2)12(3,4)16-13(15-11)9-7-5-6-8-10(9)14/h5-8H,1-4H3

InChIKey

RZYXBJMVAFMMLQ-UHFFFAOYSA-N

LogP

2.1249000000000002

Topological Polar Surface Area

18.46 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

252

Safety Information

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Hazard Statement

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-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-FLUOROPHENYLBORONIC ACID, PINACOL ESTER
1,3,2-DIOXABOROLANE,2-(2-FLUOROPHENYL)-4,4,5,5-TETRAMETHYL
BM123
1-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene
2-Fluorophenylboronic Acid Pinacol Ester
1,3,2-DIOXABOROLANE, 2-(2-FLUOROPHENYL)-4,4,5,5-TETRAMETHYL-
RZYXBJMVAFMMLQ-UHFFFAOYSA-N
BBL102700
STL556505
AB21994
SY051378
AM808075
AK130092
ST24039196
F1085
V8525
(2-FLUOROPHENYL)BORONIC ACID PINACOL
2-(2-Fluoro-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
2-(2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (ACI)
2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
EN300-1425761
DTXSID20478863
2-(2-Fluorophenyl)-4 pound not4 pound not5 pound not5-tetramethyl-1 pound not3 pound not2-dioxaborolane
CS-W023174
AKOS004115185
AS-18067
2-(2-fluoro-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane
2-Fluorophenylboronic acid pinacol ester
MFCD05663874

MDL Number

MFCD05663874

Customs Code

2934999090

FAQ

What are the physical and chemical properties of 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 876062-39-4)?

2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 876062-39-4) is a colorless or white crystalline solid. It has a molecular weight of approximately 260.22 g/mol. This compound is sparingly soluble in water but highly soluble in organic solvents like dichloromethane and toluene. It is known for its reactivity, particularly in boron-containing reactions, and its stability under neutral and basic conditions.

How is 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 876062-39-4) typically synthesized?

2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 876062-39-4) is synthesized using a variety of methods, including the Stille coupling reaction. This involves the reaction of a fluoroaryl bromide with di-tert-butyl cuprate and tetraethylborate in a suitable solvent. The reaction typically requires a catalyst and generates good yields, with high selectivity for the desired product.

What industries use 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 876062-39-4)?

2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 876062-39-4) finds application in several industries, particularly in pharmaceuticals for drug synthesis, and in the polymer industry for the development of novel materials. It is also used in sensor technology and semiconductor manufacturing for specific functionalization and purification steps.

What precautions should be taken when handling 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 876062-39-4)?

When handling 2-(2-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS: 876062-39-4), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood. In the event of a spill, it should be cleaned up using appropriate absorbent materials. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions.