(2-Methylphenyl)boronic acid

Basic Information

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CAS Number

16419-60-6

Molecular Formula

C7H9BO2

Molecular Weight

135.96 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

162-164 °C

Boiling Point

283.4℃ at 760 mmHg

Density

1.1000

Water Solubility

Slightly soluble in water.

Flash Point

125.2℃

SMILES

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B(C1=CC=CC=C1C)(O)O

InChI

InChI=1S/C7H9BO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5,9-10H,1H3

InChIKey

NSJVYHOPHZMZPN-UHFFFAOYSA-N

LogP

-0.3251799999999999

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

106

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

ortho-tolyl boronic acid
BCP9000110
AS-2514
AKOS000266627
ortho-tolylboronic acid
o-methylphenylboronic acid
o-tolyl-boronic acid
DTXSID40369820
2-Methylphenylboronic acid
FT-0602411
AC-1877
BORONIC ACID, B-(2-METHYLPHENYL)-
o -tolylboronic acid
Z336079622
o-Tolylboronic acid
(2-methylphenyl) boronic acid
0-tolyl-boronic acid
2-methylphenylboronicacid
o-tolyl boronic acid
2-methylphenyl boronic acid
HY-W001232
CS-W001232
2-methylbenzene boronic acid
J-510076
O-TOLUENEBORONIC ACID
2-Methylbenzeneboronic Acid
2-tolyl boronic acid
tolylboronic acid
2-methyl-phenyl-boronic acid
AB03348
EN300-59197

MDL Number

MFCD00093526

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (2-Methylphenyl)boronic acid (CAS: 16419-60-6)?

(2-Methylphenyl)boronic acid is a solid, crystalline compound with a molecular weight of approximately 164.22 g/mol. It has a melting point of 145-149°C and is sparingly soluble in water. Chemically, it is reactive towards electrophiles and can participate in Suzuki coupling reactions. It is also known for its moderate solubility in common organic solvents such as ethanol and acetonitrile.

How is (2-Methylphenyl)boronic acid (CAS: 16419-60-6) typically synthesized?

(2-Methylphenyl)boronic acid is typically synthesized via the reduction of 2-methylphenylboronic ester with a reducing agent such as sodium borohydride. This process yields a high purity product with good yield, making it a common method for obtaining this compound in the laboratory and industrial settings.

What industries use (2-Methylphenyl)boronic acid (CAS: 16419-60-6)?

(2-Methylphenyl)boronic acid is widely used in the pharmaceutical industry for the synthesis of various drugs, particularly in medicinal chemistry and drug discovery. It is also utilized in the polymer industry for the preparation of functional polymers, as well as in the electronics industry for applications involving sensors and semiconductors.

What precautions should be taken when handling (2-Methylphenyl)boronic acid (CAS: 16419-60-6)?

When handling (2-Methylphenyl)boronic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety glasses. Handling should be performed in a well-ventilated area or a fume hood. In case of a spill, it should be cleaned up immediately using appropriate methods and materials. For detailed safety information, consult the Material Safety Data Sheet (MSDS) or Safety Data Sheet (SDS).