(3-Chloro-2-methylphenyl)boronic acid

Basic Information

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CAS Number

313545-20-9

Molecular Formula

C7H8BClO2

Molecular Weight

170.4 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

142-146

Boiling Point

325.3°Cat760mmHg

Density

1.26

Flash Point

150.6°C

Refractive Index

1.549

SMILES

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B(C1=C(C(=CC=C1)Cl)C)(O)O

InChI

InChI=1S/C7H8BClO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3

InChIKey

BJPNVVXTUYMJPN-UHFFFAOYSA-N

LogP

0.32821999999999957

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

132

Safety Information

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Hazard Statement

Hazard Class

Class IRRITANT Class IRRITANT

Class KEEP COLD Class KEEP COLD

Synonyms & References

English

MFCD04115641
DTXSID00395827
3-Chloro-2-methyl phenyl boronic acid
AKOS004114151
(3-chloro-2-methylphenyl)boronic acid, AldrichCPR
SCHEMBL1772196
CS-W000910
FT-0644401
SY109949
(3-chloro-2-methyl-phenyl)boronic Acid
BJPNVVXTUYMJPN-UHFFFAOYSA-N
Boronicacid,B-(3-chloro-2-methylphenyl)-
W10571
AB20315
Boronic acid, (3-chloro-2-methylphenyl)-
BP-11118
313545-20-9
Z381540962
EN300-199448
J-501198
3-Chloro-2-methylbenzeneboronic acid
3-Chloro-2-methyl-phenylboronic Acid
3-CHLORO-2-METHYLPHENYLBORONIC ACID
(3-chloro-2-methylphenyl)boronic acid
PS-9511
A820810
AM803680
3-CHLORO-2-METHYLPHENYBORONIC ACID
(3-Chloro-2-methylphenyl)boronic acid
3-Chloro-2-methylphenyboronic acid
3-Chloro-2-methylphenylboronic acid

MDL Number

MFCD04115641

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (3-Chloro-2-methylphenyl)boronic acid (CAS: 313545-20-9)?

The (3-Chloro-2-methylphenyl)boronic acid (CAS: 313545-20-9) is a solid, white crystalline powder. It has a molecular weight of approximately 222.06 g/mol. The compound is slightly soluble in water and ethanol. It exhibits good reactivity, particularly in boronate ester formation, and is known for its stability in acidic conditions.

How is (3-Chloro-2-methylphenyl)boronic acid (CAS: 313545-20-9) typically synthesized?

The synthesis of (3-Chloro-2-methylphenyl)boronic acid (CAS: 313545-20-9) typically involves the reaction of 3-chloro-2-methylphenylboronic chloride with sodium hydroxide in an aqueous medium. This process provides good yield and selectivity, making it a common method in organic synthesis.

What industries use (3-Chloro-2-methylphenyl)boronic acid (CAS: 313545-20-9)?

(3-Chloro-2-methylphenyl)boronic acid (CAS: 313545-20-9) is primarily used in the pharmaceutical industry for the synthesis of complex organic molecules. It is also utilized in the production of various polymers, sensors, and semiconductors where its reactivity and stability are advantageous.

What precautions should be taken when handling (3-Chloro-2-methylphenyl)boronic acid (CAS: 313545-20-9)?

When handling (3-Chloro-2-methylphenyl)boronic acid (CAS: 313545-20-9), it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Ensure the use of a fume hood to minimize inhalation risks. In case of a spill, neutralize the spill with an appropriate base, and dispose of according to local regulations. Always refer to the safety data sheet (SDS) for detailed handling and safety information.