[(4-Methylphenyl)sulfonyl]acetonitrile

Basic Information

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CAS Number

5697-44-9

Molecular Formula

C9H9NO2S

Molecular Weight

184.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

149.0 to 152.0 deg-C

Boiling Point

400.9°C at 760 mmHg

Flash Point

196.3 °C

Refractive Index

1.5270 (estimate)

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)CC#N

InChI

InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3

InChIKey

BBNNLJMGPASZPD-UHFFFAOYSA-N

LogP

1.7886199999999999

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

298

Safety Information

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Hazard Statement

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

T0846
p-Tolylsulfonylacetonitrile
2-tosylacetonitrile;4-(Toluenesulphonyl)acetonitrile; p-Toluenesulfonylacetonitrile
NS00033619
(Toluene-4-sulfonyl)-acetonitrile
FS-1061
IDI1_014848
NSC 125922
HMS1440N07
2-tosylacetonitrile
Tosylacetonitrile
p-tolylsulphonyl-acetonitrile
FT-0635810
AMY3235
4-Methylbenzenesulfonylacetonitrile
P-toluenesulphonylacetonitrile
BB 0219426
(4-methylphenyl)sulfonylacetonitrile
5697-44-9
2-(4-methylphenyl)sulfonylacetonitrile
Maybridge3_003461
UNII-3XRA8X3VVZ
BBNNLJMGPASZPD-UHFFFAOYSA-
[(4-Methylphenyl)sulfonyl]acetonitrile #
AKOS000264739
(toluene-4-sulfonyl)acetonitrile
p-(Cyanomethylsulfonyl)toluene
Z57167805
SY048449
3XRA8X3VVZ
InChI=1/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3

MDL Number

MFCD00039487

Customs Code

2926909090

FAQ

What is [(4-Methylphenyl)sulfonyl]acetonitrile (CAS: 5697-44-9)?

[(4-Methylphenyl)sulfonyl]acetonitrile (CAS: 5697-44-9) is an organic compound with the molecular formula C8H9NO2S. It is a colorless to pale yellow liquid with a distinctive odor. This compound is used in various applications due to its chemical properties.

What are the main uses of [(4-Methylphenyl)sulfonyl]acetonitrile (CAS: 5697-44-9)?

[(4-Methylphenyl)sulfonyl]acetonitrile (CAS: 5697-44-9) is used in the synthesis of pharmaceuticals, as a reagent in organic chemistry, and in the preparation of other chemical compounds. It is also utilized in research and development for its unique chemical properties.

Is [(4-Methylphenyl)sulfonyl]acetonitrile (CAS: 5697-44-9) safe?

[(4-Methylphenyl)sulfonyl]acetonitrile (CAS: 5697-44-9) is generally safe when handled with appropriate precautions. However, it should be used in a well-ventilated area and avoid contact with skin and eyes. Protective clothing and gloves are recommended.

How should [(4-Methylphenyl)sulfonyl]acetonitrile (CAS: 5697-44-9) be stored?

[(4-Methylphenyl)sulfonyl]acetonitrile (CAS: 5697-44-9) should be stored in a cool, dry, and well-ventilated area. It should be kept away from sources of heat, sparks, and open flames. Store it in a tightly sealed container to prevent loss of volatile components and contamination.