(3-Cyanophenyl)boronic acid

Basic Information

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CAS Number

150255-96-2

Molecular Formula

C7H6BNO2

Molecular Weight

146.94 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Physical Properties

Melting Point

298 °C (dec.)

Boiling Point

347.4℃ at 760 mmHg

Density

1.2500

Flash Point

163.9℃

Refractive Index

1.559

SMILES

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B(C1=CC(=CC=C1)C#N)(O)O

InChI

InChI=1S/C7H6BNO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,10-11H

InChIKey

XDBHWPLGGBLUHH-UHFFFAOYSA-N

LogP

-0.76192

Complexity

175

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 6.1 Class 6.1

Synonyms & References

English

3-cyano-phenyl-boronic acid
Boronic acid, B-(3-cyanophenyl)-
3-cyano-phenyl boronic acid
EN300-93446
150255-96-2
3-cyano phenylboronic acid
3-cyanobenzene boronic acid
A898889
A895581
3-Cyanophenylboronic acid
BDBM26125
BP-12118
FT-0615557
MFCD01318967
AB08782
XDBHWPLGGBLUHH-UHFFFAOYSA-N
AKOS004116071
AS-2591
(3-cyanophenyl) boronic acid
CS-W008696
Dihydroxy-(3-cyanophenyl)borane
CHEMBL485740
3-cyano-phenylboronic acid
AM62747
3-cyanophenyl-boronic acid
SY005371
Phenylboronic Acid, 4
DTXSID60370216
3-(dihydroxyboranyl)benzonitrile
3-cyano-benzene boronic acid
Z381541122

MDL Number

MFCD01318967

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (3-Cyanophenyl)boronic acid (CAS: 150255-96-2)?

(3-Cyanophenyl)boronic acid is a white crystalline solid with a molecular weight of approximately 180.12 g/mol. It is slightly soluble in water and more soluble in organic solvents. Chemically, it is reactive towards nucleophiles and can undergo condensation reactions. It is stable under normal conditions but should be stored in a dry, cool place to prevent degradation.

How is (3-Cyanophenyl)boronic acid (CAS: 150255-96-2) typically synthesized?

(3-Cyanophenyl)boronic acid can be synthesized via a multistep process involving the reaction of phenylboronic acid with a cyanide source, such as sodium cyanide, in the presence of a base. The reaction is typically carried out in an organic solvent like dimethylformamide (DMF) at elevated temperatures. The yield and selectivity can be optimized using appropriate catalytic systems.

What industries use (3-Cyanophenyl)boronic acid (CAS: 150255-96-2)?

(3-Cyanophenyl)boronic acid is used in various industries, including pharmaceuticals, where it serves as a building block for synthesizing drug candidates, and in polymer chemistry for modifying the properties of polymers. It is also utilized in sensor technology and semiconductor manufacturing due to its reactivity and specific functional groups.

What precautions should be taken when handling (3-Cyanophenyl)boronic acid (CAS: 150255-96-2)?

When handling (3-Cyanophenyl)boronic acid, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions.