(Allylsulfonyl)benzene

Basic Information

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CAS Number

16212-05-8

Molecular Formula

C9H10O2S

Molecular Weight

182.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

128°C/0.9mmHg

Refractive Index

n20/D 1.548(lit.)<br />n20/D 1.548

SMILES

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C=CCS(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2

InChIKey

KYPIULIVYSQNNT-UHFFFAOYSA-N

LogP

1.6463

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

230

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

Sensitiveness

Light Sensitive

Synonyms & References

English

Sulfone, allyl phenyl
37KT5U3YH4
InChI=1/C9H10O2S/c1-2-8-12(10,11)9-6-4-3-5-7-9/h2-7H,1,8H2
(2-Propenylsulfonyl)benzene
Benzene, (2-propen-1-ylsulfonyl)-
NSC221230
(2-Propen-1-ylsulfonyl)benzene
D88437
prop-2-enylsulfonylbenzene
(Allylsulfonyl)benzene #
Allylsulfonylbenzene
SCHEMBL140625
WLN: WSR&2U1
4-06-00-01480 (Beilstein Handbook Reference)
MFCD00014739
16212-05-8
W-107966
(Allylsulphonyl)benzene
Allyl phenyl sulfone, 98%
DTXSID1066025
A810341
(Allylsulfonyl)benzene
BRN 1863561
NS00053571
NSC-221230
phenyl-2propenyl sulphone
phenyl 2-propenyl sulfone
EINECS 240-338-8
(prop-2-ene-1-sulfonyl)benzene
KYPIULIVYSQNNT-UHFFFAOYSA-
NSC 221230

MDL Number

MFCD00014739

Customs Code

2904100000

FAQ

What are the physical and chemical properties of (Allylsulfonyl)benzene (CAS: 16212-05-8)?

(Allylsulfonyl)benzene is a colorless liquid with a molecular weight of approximately 189.22 g/mol. It has a density of around 1.12 g/cm³ and a boiling point of 205-207°C. This compound is slightly soluble in water but readily soluble in organic solvents. It exhibits moderate reactivity with nucleophiles and is susceptible to thermal decomposition. It is a versatile chemical intermediate used in various synthetic reactions.

How is (Allylsulfonyl)benzene (CAS: 16212-05-8) typically synthesized?

(Allylsulfonyl)benzene is synthesized via the reaction of benzene with allyl chlorosulfone in the presence of a base such as sodium hydride. This synthesis typically proceeds with good yield and selectivity, although careful handling of the allyl chlorosulfone is required due to its reactivity. The process involves a nucleophilic substitution reaction followed by a rearrangement step.

What industries use (Allylsulfonyl)benzene (CAS: 16212-05-8)?

(Allylsulfonyl)benzene is primarily used in the pharmaceutical and polymer industries. In pharmaceuticals, it serves as a precursor for the synthesis of various drug molecules. In polymers, it can be used as a monomer or modifier to improve the properties of polymers. Additionally, it finds applications in the production of sensors and as a component in semiconductors.

What precautions should be taken when handling (Allylsulfonyl)benzene (CAS: 16212-05-8)?

When handling (Allylsulfonyl)benzene (CAS: 16212-05-8), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be handled with care using appropriate absorbents and reported to the safety officer. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage recommendations.