(2-Sulfanylphenyl)boronic acid

Basic Information

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CAS Number

352526-00-2

Molecular Formula

C6H7BO2S

Molecular Weight

154 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

196-201 °C

Boiling Point

345.3℃ at 760 mmHg

Flash Point

162.6 °C

SMILES

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B(C1=CC=CC=C1S)(O)O

InChI

InChI=1S/C6H7BO2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,8-10H

InChIKey

RADLTTWFPYPHIV-UHFFFAOYSA-N

LogP

-0.34489999999999993

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

110

Synonyms & References

English

352526-00-2
SCHEMBL1845170
AM62708
mercaptophenylboronic acid
(2-Mercaptophenyl)boronicacid
AKOS015919492
Boronic acid, (2-mercaptophenyl)- (9CI)
(2-Mercaptophenyl)boronic acid
FT-0686879
2-Mercaptophenylboronic acid
DTXSID00402565
(2-sulfanylphenyl)boronic Acid
CS-0451551
(2-sulfanylphenyl)boronic acid
3-Mercaptophenylboronic acid
Boronic acid,(2-mercaptophenyl)- (9CI)

MDL Number

MFCD08697664

Customs Code

2931900090

FAQ

What are the physical and chemical properties of (2-Sulfanylphenyl)boronic acid (CAS: 352526-00-2)?

(2-Sulfanylphenyl)boronic acid (CAS: 352526-00-2) is a solid with a crystalline form. It has a molecular weight of approximately 194.22 g/mol. This compound is slightly soluble in water and ethanol. It exhibits mild reactivity similar to other boronic acids, such as forming esters and ester derivatives under basic conditions. It is an important reagent in organic synthesis, particularly in Suzuki coupling reactions.

How is (2-Sulfanylphenyl)boronic acid (CAS: 352526-00-2) typically synthesized?

(2-Sulfanylphenyl)boronic acid (CAS: 352526-00-2) is commonly synthesized via the reduction of 2-bromosulfanylbenzene with sodium borohydride in the presence of a solvent like methanol. The reaction is typically carried out at room temperature, yielding the compound in moderate to good yield with good selectivity. This method allows for the preparation of pure boronic acid derivatives for various applications in organic synthesis.

What industries use (2-Sulfanylphenyl)boronic acid (CAS: 352526-00-2)?

(2-Sulfanylphenyl)boronic acid (CAS: 352526-00-2) is widely used in pharmaceuticals and organic synthesis. It plays a crucial role in the development of new drug candidates and in the synthesis of complex organic molecules. Additionally, it is used in the preparation of materials for sensors and semiconductors due to its unique electronic properties.

What precautions should be taken when handling (2-Sulfanylphenyl)boronic acid (CAS: 352526-00-2)?

When handling (2-Sulfanylphenyl)boronic acid (CAS: 352526-00-2), it is important to use appropriate personal protective equipment (PPE) such as gloves, safety glasses, and a lab coat. Work within a well-ventilated environment or fume hood to minimize exposure to the compound. Spills should be cleaned up carefully using appropriate absorbent materials, and the area should be thoroughly washed down. Always consult the Safety Data Sheet (SDS) for specific guidelines on handling and storage.