(Phenylsulfonyl)acetonitrile

Basic Information

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CAS Number

7605-28-9

Molecular Formula

C8H7NO2S

Molecular Weight

181.21 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

111.0 to 115.0 deg-C

Boiling Point

398.5 °C at 760 mmHg

Density

1.284±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

194.8 °C

Refractive Index

1.5650 (estimate)

SMILES

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

InChI

InChI=1S/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2

InChIKey

ZFCFFNGBCVAUDE-UHFFFAOYSA-N

LogP

2.06468

Complexity

274

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

phenylsulfonyl acetonitrile
Cyanomethylsulfonylbenzene
CHEMBL1901222
2-(benzenesulfonyl)-acetonitrile
SCHEMBL751
NSC-51007
HMS2216K24
2-(benzenesulfonyl)acetonitrile
ZFCFFNGBCVAUDE-UHFFFAOYSA-
Benzenesulfonylacetonitrile
HMS554I07
NCGC00247628-01
A838599
FT-0605011
Benzenesulfonyl-acetonitrile
PHENYLSULFONYLACETONITRILE
CS-0156059
benzenesulphonyl acetonitrile
NSC 51007
InChI=1/C8H7NO2S/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,7H2
benzenesulphonylacetonitrile
MLS001143941
NS00037752
BB 0219425
Phenylsulphonyl acetonitrile
Acetonitrile,2-(phenylsulfonyl)-
2-(Phenylsulfonyl)acetonitrile
SMR000718483
PS-3123
Maybridge1_004583
EINECS 231-515-0

MDL Number

MFCD00007550

Customs Code

2926909090

FAQ

What regulatory guidelines apply to (Phenylsulfonyl)acetonitrile (CAS: 7605-28-9)?

The regulatory guidelines for (Phenylsulfonyl)acetonitrile (CAS: 7605-28-9) include classification under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) as a hazardous chemical. It is subject to reporting and registration under the REACH法规，以及美国联邦法规下的FDA和EPA要求。

Are there alternatives to (Phenylsulfonyl)acetonitrile (CAS: 7605-28-9) in synthesis?

Alternatives to (Phenylsulfonyl)acetonitrile (CAS: 7605-28-9) in synthesis include similar acetonitriles with different substituents or other sulfonyl derivatives. Common reagents such as phenylsulfonyl chloride can be used as substitutes in certain reactions.

What is the market or research trend for (Phenylsulfonyl)acetonitrile (CAS: 7605-28-9)?

The market for (Phenylsulfonyl)acetonitrile (CAS: 7605-28-9) is primarily driven by its use in organic synthesis and pharmaceutical applications. Research trends include its application in drug discovery and development, with a focus on its role as a functional group in medicinal chemistry.

How should waste containing (Phenylsulfonyl)acetonitrile (CAS: 7605-28-9) be handled?

Waste containing (Phenylsulfonyl)acetonitrile (CAS: 7605-28-9) should be collected in appropriate containers and disposed of by incineration or professional waste disposal services. Environmental protection measures, including neutralization of the waste, should be followed to prevent environmental contamination.