2-Butoxyphenylboronic acid

Basic Information

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CAS Number

91129-69-0

Molecular Formula

C10H15BO3

Molecular Weight

194.04 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

69-73 °C

Boiling Point

351.8±44.0 °C at 760 mmHg

Density

1.08

Flash Point

166.6±28.4 °C

Refractive Index

1.51

SMILES

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B(C1=CC=CC=C1OCCCC)(O)O

InChI

InChI=1S/C10H15BO3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7,12-13H,2-3,8H2,1H3

InChIKey

NNZPYUBZXKOFHS-UHFFFAOYSA-N

LogP

0.5452999999999999

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

152

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

2-Butoxyphenylboronic acid
2-Butoxyphenylboronic Acid (contains varying amounts of Anhydride)
(2-butoxyphenyl)boronic acid
2-Butyloxyphenylboronic acid
2-Butoxybenzeneboronic Acid (contains varying amounts of Anhydride)
Boronic acid, (2-butoxyphenyl)-
2-Butoxyphenylbronic acid
2-Butoxymethylboronic acid
2-Butoxybenzeneboronic Acid
2-butoxy phenyl boronic acid
KSC489M0F
NNZPYUBZXKOFHS-UHFFFAOYSA-N
VB10119
TRA0075655
AB15040
LS10793
OR360036
N866
BC000711
AX8012257
AB1004649
ST24042
B-(2-Butoxyphenyl)boronic acid (ACI)
Benzeneboronic acid, o-butoxy- (7CI)
Boronic acid, (2-butoxyphenyl)- (9CI)
2-butoxyphenylboronic acid
CS-W010672
DTXSID40408162
DS-13272
B4700
EN300-7372470

MDL Number

MFCD00003903

Customs Code

2931900090

FAQ

What are the physical and chemical properties of 2-Butoxyphenylboronic acid (CAS: 91129-69-0)?

2-Butoxyphenylboronic acid is a white crystalline solid with a molecular weight of approximately 201.23 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. It exhibits good reactivity in boronate ester formations and is often used in Suzuki coupling reactions. The compound is stable under normal conditions but should be stored in a cool, dry environment to prevent hydrolysis.

How is 2-Butoxyphenylboronic acid (CAS: 91129-69-0) typically synthesized?

2-Butoxyphenylboronic acid is typically synthesized via the boronic acid pinacol ester method. The process involves the reaction of 2-butoxyphenol with boron tribromide in the presence of a base. The reaction yields a mixture of isomers, and purification is usually achieved through column chromatography. The yield is around 85%, and the reaction is carried out under anhydrous conditions to ensure high purity.

What industries use 2-Butoxyphenylboronic acid (CAS: 91129-69-0)?

2-Butoxyphenylboronic acid is primarily used in the pharmaceutical industry for the synthesis of boronic acid derivatives used in drug discovery and development. It is also employed in the polymer industry for the preparation of functional polymers and in semiconductor manufacturing as a precursor for boron-containing compounds. Additionally, it has applications in the development of sensors and other advanced materials.

What precautions should be taken when handling 2-Butoxyphenylboronic acid (CAS: 91129-69-0)?

When handling 2-Butoxyphenylboronic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be handled carefully using absorbent materials and disposed of according to local hazardous waste regulations. Always refer to the material safety data sheet (MSDS) for specific safety and handling guidelines.