2-[(4-Chlorobenzyl)sulfonyl]acetonitrile

Base Information

• Chemical Name: 2-[(4-Chlorobenzyl)sulfonyl]acetonitrile
• CAS No.: 175137-57-2
• Molecular Formula: C9H8 Cl N O2 S
• Molecular Weight: 229.68300
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID10380921
• Wikidata: Q82171424
• Mol file: 175137-57-2.mol

Synonyms:175137-57-2;2-[(4-Chlorobenzyl)sulfonyl]acetonitrile;2-[(4-chlorophenyl)methylsulfonyl]acetonitrile;2-((4-Chlorobenzyl)sulfonyl)acetonitrile;2-[(4-chlorophenyl)methanesulfonyl]acetonitrile;HMS554K17;Maybridge1_004637;Acetonitrile, 2-[[(4-chlorophenyl)methyl]sulfonyl]-;SCHEMBL4071279;DTXSID10380921;FEOYOHMXFJDACL-UHFFFAOYSA-N;MFCD00067871;2-(4-chlorobenzylsulfonyl)acetonitrile;AKOS015908961;7M-372S;CCG-253390;4-chlorophenylmethanesulfonylacetonitrile;[(4-Chlorophenyl)methanesulfonyl]acetonitrile;CS-0242116;FT-0610805;EN300-244949;A811798;W-206123;Z1269197873

Chemical Property of 2-[(4-Chlorobenzyl)sulfonyl]acetonitrile

Chemical Property:

• Vapor Pressure: 7.49E-09mmHg at 25°C
• Boiling Point: 465.8oC at 760 mmHg
• Flash Point: 235.5oC
• PSA: 66.31000
• Density: 1.39g/cm3
• LogP: 2.85918
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.9964274
• Heavy Atom Count: 14
• Complexity: 317

Purity/Quality:

98%min ^*data from raw suppliers

2-{[(4-Chlorophenyl)methane]sulfonyl}acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CS(=O)(=O)CC#N)Cl