3-Biphenylylboronic acid

Basic Information

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CAS Number

5122-95-2

Molecular Formula

C12H11BO2

Molecular Weight

198.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

208°C

Boiling Point

411℃ at 760 mmHg

Density

1.1800

Water Solubility

Insoluble in water.

Flash Point

202.3 oC

Refractive Index

1.61

SMILES

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

InChI

InChI=1S/C12H11BO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9,14-15H

InChIKey

GOXICVKOZJFRMB-UHFFFAOYSA-N

LogP

1.0333999999999997

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

190

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

Synonyms & References

English

Biphenyl-3-boronic acid
J-519853
3-Biphenylboronic Acid, (contains varying amounts of Anhydride)
GOXICVKOZJFRMB-UHFFFAOYSA-N
[1,1'-Diphenyl]-3-ylboronic acid
BDBM26126
Boronic acid, [1,1'-biphenyl]-3-yl-
biphenyl-3-ylboronic acid
{[1,1'-biphenyl]-3-yl}boronic acid
DTXSID10370206
3-biphenyl boronic acid
3-PHENYLBENZENEBORONIC ACID
AM20050465
Z1203159465
5122-95-2
CS-W002759
LD5RSH6TTV
CHEMBL20421
MFCD01318102
3-biphenyl-boronic acid
3-Biphenylboronic acid
GS-6830
Phenylboronic Acid, 5
Biphenyl-3-bronic acid
FT-0615110
SCHEMBL66838
(3-phenylphenyl)boronic Acid
B2489
(1,1'-biphenyl-3-yl)boronic acid
Biphenyl-3-ylbronic acid
EN300-197283

MDL Number

MFCD01318102

Customs Code

2931900090

FAQ

What is 3-Biphenylylboronic acid (CAS: 5122-95-2)?

3-Biphenylylboronic acid is a chemical compound with the chemical formula C21H16BO2. It is a boronic acid derivative that contains a bidentate phenylborate ligand. This compound is known for its reactivity in organometallic chemistry and its use in various synthetic applications.

What are the main uses of 3-Biphenylylboronic acid (CAS: 5122-95-2)?

3-Biphenylylboronic acid is primarily used in the field of organic synthesis, particularly in Suzuki coupling reactions, where it serves as a boronic acid coupling partner. It is also used in the preparation of various organic compounds and as a reagent in medicinal chemistry.

Is 3-Biphenylylboronic acid (CAS: 5122-95-2) safe?

3-Biphenylylboronic acid is generally considered safe for laboratory use when handled with appropriate precautions. However, it should be stored in a cool, dry place, away from direct sunlight. It is not particularly toxic, but inhalation or ingestion may cause irritation. Protective gloves and safety goggles should be worn during handling.

How should 3-Biphenylylboronic acid (CAS: 5122-95-2) be stored?

3-Biphenylylboronic acid should be stored in a sealed, airtight container at room temperature (15-25°C) and away from direct sunlight. Maintaining a relative humidity below 50% is recommended to prevent moisture absorption. Keep the container tightly closed to protect it from air and moisture. Store it out of reach of children and away from incompatible materials.