[4-(Methylsulfanyl)phenyl]boronic acid

Basic Information

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CAS Number

98546-51-1

Molecular Formula

C7H9BO2S

Molecular Weight

168.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

213°C

Boiling Point

333.5°C at 760 mmHg

Density

1.2200

Flash Point

155.5°C

Refractive Index

1.583

SMILES

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

InChI

InChI=1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3

InChIKey

IVUHTLFKBDDICS-UHFFFAOYSA-N

LogP

0.08830000000000005

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

113

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

4-methylsulfanylphenyl boronic acid
J-501323
4-(methylthio)phenyl boronic acid
AB03347
IVUHTLFKBDDICS-UHFFFAOYSA-N
MFCD00093410
AM20080730
4-Thioanisoleboronic acid
98546-51-1
(4-(methylthio)phenyl]boronic acid
4-(Methylthio)benzeneboronic acid
AC-5369
4-methylthiophenyl boronic acid
NCGC00249472-01
EN300-140385
AKOS000279153
DTXSID00370058
BP-12658
SCHEMBL184212
M1458
4- methylthiophenyl boronic acid
Z381540922
4-(METHYLSULFANYL)BENZENEBORONIC ACID
CS-D1041
4-methylsulfanyl-phenylboronic acid
AS-2624
4-methylthiophenylboronic acid
[4-(methylsulfanyl)phenyl]boronic acid
4-methylthio phenyl boronic acid
Boronic acid, B-[4-(methylthio)phenyl]-
4-methylsulphanyl-phenylboronic acid

MDL Number

MFCD00093410

Customs Code

2931900090

FAQ

What is [4-(Methylsulfanyl)phenyl]boronic acid (CAS: 98546-51-1)?

[4-(Methylsulfanyl)phenyl]boronic acid (CAS: 98546-51-1) is an organic compound with the molecular formula C9H10O3B. It is used as a boron source in various chemical reactions and is commonly found in pharmaceuticals and as a reagent in organic synthesis.

What are the main uses of [4-(Methylsulfanyl)phenyl]boronic acid (CAS: 98546-51-1)?

The main uses of [4-(Methylsulfanyl)phenyl]boronic acid (CAS: 98546-51-1) include its application in pharmaceutical development, as a reagent in multistep organic synthesis, and as a component in certain industrial processes. It is also used in the preparation of other boron-containing organic compounds.

Is [4-(Methylsulfanyl)phenyl]boronic acid (CAS: 98546-51-1) safe?

Yes, [4-(Methylsulfanyl)phenyl]boronic acid (CAS: 98546-51-1) is generally considered safe when handled with appropriate precautions. However, it should be stored away from sources of heat and light, and proper protective equipment should be used to prevent skin and eye contact.

How should [4-(Methylsulfanyl)phenyl]boronic acid (CAS: 98546-51-1) be stored?

[4-(Methylsulfanyl)phenyl]boronic acid (CAS: 98546-51-1) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. The storage area should be well-ventilated and accessible only to authorized personnel. Ensure that the container is leak-proof to prevent spillage.