(4-Phenoxyphenyl)boronic acid

Basic Information

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CAS Number

51067-38-0

Molecular Formula

C12H11BO3

Molecular Weight

214.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

115°C

Boiling Point

377°C at 760 mmHg

Density

1.2300

Flash Point

181.8℃

Refractive Index

1.605

SMILES

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B(C1=CC=C(C=C1)OC2=CC=CC=C2)(O)O

InChI

InChI=1S/C12H11BO3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9,14-15H

InChIKey

KFXUHRXGLWUOJT-UHFFFAOYSA-N

LogP

1.1586999999999996

Topological Polar Surface Area

49.69 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

196

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

AKOS000264865
BP-11448
FT-0619375
F2135-0364
NCGC00249484-01
(4-phenoxyphenyl) boronic acid
HY-76584
(4-phenoxyphenyl)boronic acid
4-Phenoxyphenyl-boronic acid
DTXSID70370267
AMY479
4-Phenoxyphenylboronic acid, >=95.0%
EN300-1262826
4-phenoxy-phenylboronic acid
4-phenyoxyphenylboronic acid
AC-27607
4-phenoxyphenylboronic acid (contains varying amounts of anhydride)
4-Phenoxybenzeneboronic acid
P1974
BDBM50275011
CHEMBL459151
J-515926
(4-Phenoxyphenyl)boronic acid;4-Phenoxyphenylboronic acid
CS-M1047
AB03336
KFXUHRXGLWUOJT-UHFFFAOYSA-N
MFCD00093312
4-phenoxy-phenyl boronic acid
Z381541034
4-Phenoxyphenylboronic acid
Boronic acid, (4-phenoxyphenyl)-

MDL Number

MFCD00093312

Customs Code

2931900090

FAQ

What is (4-Phenoxyphenyl)boronic acid (CAS: 51067-38-0)?

(4-Phenoxyphenyl)boronic acid (CAS: 51067-38-0) is a chemical compound with the formula C13H12O3B. It is a white solid commonly used in organic synthesis, known for its reactivity in coupling reactions. The compound features a boronic acid group attached to a phenyl ring with a phenoxy substituent, making it valuable in pharmaceutical and research applications.

What are the main uses of (4-Phenoxyphenyl)boronic acid (CAS: 51067-38-0)?

(4-Phenoxyphenyl)boronic acid (CAS: 51067-38-0) is primarily used in pharmaceuticals as a building block for drug development, particularly in creating derivatives for medicinal chemistry. It also serves in industrial applications for polymer synthesis and in research for Suzuki coupling reactions. Its utility extends to functional materials and chemical intermediates in various fields.

Is (4-Phenoxyphenyl)boronic acid (CAS: 51067-38-0) safe?

(4-Phenoxyphenyl)boronic acid (CAS: 51067-38-0) is considered low to moderately toxic. It may cause eye and skin irritation, so safety precautions include wearing gloves, goggles, and a lab coat. Proper ventilation is essential during handling. While not classified as carcinogenic, adherence to OSHA and EPA guidelines ensures safe use in laboratories and industrial settings.

How should (4-Phenoxyphenyl)boronic acid (CAS: 51067-38-0) be stored?

(4-Phenoxyphenyl)boronic acid (CAS: 51067-38-0) should be stored in a cool (below 25°C), dry, and dark place to maintain stability. Keep in a sealed container to prevent moisture exposure. Avoid contact with air and light to preserve its chemical integrity. Store away from heat sources and incompatible materials for optimal safety.