1-(Bromomethyl)-2-(methylsulfonyl)benzene

Basic Information

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CAS Number

82657-74-7

Molecular Formula

C8H9BrO2S

Molecular Weight

249.13 g/mol

Basic Physical Properties

Density

1.550

SMILES

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CS(=O)(=O)c1ccccc1CBr

InChI

InChI=1S/C8H9BrO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,6H2,1H3

InChIKey

ZBLBWTFICJOODX-UHFFFAOYSA-N

LogP

1.985

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

1-(Bromomethyl)-2-(methylsulfonyl)benzene
2-(Methylsulfonyl)benzyl Bromide
1-(bromomethyl)-2-methylsulfonylbenzene
Benzene, 1-(bromomethyl)-2-(methylsulfonyl)-
C8H9BrO2S

MDL Number

MFCD11847473

Customs Code

2904909090

FAQ

What are the physical and chemical properties of 1-(Bromomethyl)-2-(methylsulfonyl)benzene (CAS: 82657-74-7)?

1-(Bromomethyl)-2-(methylsulfonyl)benzene is a crystalline solid with a molecular weight of approximately 237.06 g/mol. It has low solubility in water but is soluble in organic solvents like dichloromethane and acetonitrile. It is moderately reactive towards nucleophiles and can undergo substitution reactions. The compound is stable under normal conditions but should be stored away from moisture and heat.

How is 1-(Bromomethyl)-2-(methylsulfonyl)benzene (CAS: 82657-74-7) typically synthesized?

1-(Bromomethyl)-2-(methylsulfonyl)benzene is typically synthesized through the reaction of 2-(methylsulfonyl)benzyl bromide with benzene. This process involves the bromination of the methylsulfonylbenzyl group followed by the coupling with benzene. The reaction is performed under basic conditions, and the yield is around 70-80%. Suitable catalysts include sodium hydride or potassium tert-butoxide.

What industries use 1-(Bromomethyl)-2-(methylsulfonyl)benzene (CAS: 82657-74-7)?

1-(Bromomethyl)-2-(methylsulfonyl)benzene is used in the pharmaceutical industry for the synthesis of certain drugs and intermediates. It is also employed in polymer chemistry as a functional monomer and in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 1-(Bromomethyl)-2-(methylsulfonyl)benzene (CAS: 82657-74-7)?

When handling 1-(Bromomethyl)-2-(methylsulfonyl)benzene, it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up with care, and the area should be decontaminated. Always refer to the Material Safety Data Sheet (SDS) for specific handling and emergency procedures.