2-(Isopropylsulfonyl)acetonitrile

Base Information

• Chemical Name: 2-(Isopropylsulfonyl)acetonitrile
• CAS No.: 120069-21-8
• Molecular Formula: C5H9 N O2 S
• Molecular Weight: 147.2
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID00380995
• Wikidata: Q82171540
• Mol file: 120069-21-8.mol

Synonyms:2-(Isopropylsulfonyl)acetonitrile;120069-21-8;2-propan-2-ylsulfonylacetonitrile;2-(Isopropylsulphonyl)acetonitrile;2-Propanesulphonylactonitrile;Acetonitrile, [(1-methylethyl)sulfonyl]-;Acetonitrile, 2-[(1-methylethyl)sulfonyl]-;2-(propane-2-sulfonyl)acetonitrile;isopropylsulphonylacetonitrile;propane-2-sulphonylacetonitrile;(Isopropylsulphonyl)acetonitrile;SCHEMBL3238367;2-iso-Propylsulfonylacetonitrile;(Propane-2-sulfonyl)acetonitrile;DTXSID00380995;FJZQCBCJTUWIOQ-UHFFFAOYSA-N;AMY32231;STR03685;VEA06921;MFCD00051755;AKOS009159015;CS-0061048;FT-0613369;W16713;A804423

Chemical Property of 2-(Isopropylsulfonyl)acetonitrile

Chemical Property:

• Vapor Pressure: 0.000211mmHg at 25°C
• Melting Point: 32 °C
• Boiling Point: 326.8°Cat760mmHg
• Flash Point: 151.4°C
• PSA: 66.31000
• Density: 1.169g/cm³
• LogP: 1.41558
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 147.03539970
• Heavy Atom Count: 9
• Complexity: 213

Purity/Quality:

97% ^*data from raw suppliers

2-(Isopropylsulfonyl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)S(=O)(=O)CC#N