Mesitylboronic acid

Basic Information

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CAS Number

5980-97-2

Molecular Formula

C9H13BO2

Molecular Weight

164.01 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

115-122 °C

Boiling Point

309.1°C at 760 mmHg

Density

1.05

Flash Point

140.7ºC

Refractive Index

1.519

SMILES

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B(C1=C(C=C(C=C1C)C)C)(O)O

InChI

InChI=1S/C9H13BO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5,11-12H,1-3H3

InChIKey

BZXQRXJJJUZZAJ-UHFFFAOYSA-N

LogP

0.29166000000000003

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

138

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

AKOS000285066
2,4,6-TRIMETHYLBORONIC ACID
2,4,6-tri-methyl-phenyl-boronic acid
MFCD00236060
Mesitylene-2-boronic acid
AM808121
CS-W016097
Z381541028
DTXSID70303313
B-(2,4,6-Trimethylphenyl)boronic acid
(2,4,6-trimethylphenyl)boronic acid
SY018033
GS-6305
NSC157832
J-507088
H10239
2,4,6-Trimethylphenylboronic acid
FT-0609899
AC-5391
A929724
Mesityleneboronic acid
BORONIC ACID, (2,4,6-TRIMETHYLPHENYL)-
2-Mesityleneboronic acid
2,4,6-Trimethylbenzeneboronic acid
NSC-157832
2,4,6-trimethyl phenylboronic acid
SCHEMBL448143
BORONIC ACID, B-(2,4,6-TRIMETHYLPHENYL)-
Mesitylboronicacid
5980-97-2
BZXQRXJJJUZZAJ-UHFFFAOYSA-N

MDL Number

MFCD00236060

Customs Code

2931900090

FAQ

What are the physical and chemical properties of Mesitylboronic acid (CAS: 5980-97-2)?

Mesitylboronic acid (CAS: 5980-97-2) is a white crystalline solid. Its molecular weight is approximately 165.13 g/mol. It has a very low water solubility but is soluble in organic solvents such as dichloromethane and acetonitrile. Chemically, it exhibits typical reactivity of boronic acids, undergoing nucleophilic substitution reactions under mild conditions.

How is mesitylboronic acid (CAS: 5980-97-2) typically synthesized?

Mesitylboronic acid is usually synthesized through the reaction of mesityl oxide with boron tribromide in the presence of a base. The process involves the generation of a mesityl borate salt, which then forms mesitylboronic acid upon treatment with water or a protic solvent. The reaction is typically carried out in a glass or Teflon vessel to avoid corrosion.

What industries use mesitylboronic acid (CAS: 5980-97-2)?

Mesitylboronic acid finds applications in the pharmaceutical industry for the synthesis of chiral compounds, as well as in the polymer industry for the modification of polymers. It is also used in the semiconductors industry for the preparation of organoboron compounds used as dopants.

What precautions should be taken when handling mesitylboronic acid (CAS: 5980-97-2)?

When handling mesitylboronic acid, proper personal protective equipment (PPE) including gloves, goggles, and lab coat should be worn. It should be stored in a cool, dry place away from heat sources and incompatible materials. In case of spill, it should be carefully cleaned up using appropriate absorbent materials and disposed of according to hazardous waste regulations. For detailed safety information, refer to the Safety Data Sheet (SDS).