2-[(2-Furylmethyl)sulfonyl]acetonitrile

Base Information

• Chemical Name: 2-[(2-Furylmethyl)sulfonyl]acetonitrile
• CAS No.: 175202-36-5
• Molecular Formula: C7H7 N O3 S
• Molecular Weight: 185.20000
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID90381092
• Wikidata: Q82171712
• Mol file: 175202-36-5.mol

Synonyms:175202-36-5;2-[(2-furylmethyl)sulfonyl]acetonitrile;2-(furan-2-ylmethylsulfonyl)acetonitrile;Acetonitrile, 2-[(2-furanylmethyl)sulfonyl]-;[(Furan-2-yl)methanesulfonyl]acetonitrile;2-((Furan-2-ylmethyl)sulfonyl)acetonitrile;Maybridge1_004443;HMS554B21;DTXSID90381092;MFCD00085089;AKOS015908821;2-[(2-furylmethyl)sulphonyl]acetonitrile;FT-0610795

Chemical Property of 2-[(2-Furylmethyl)sulfonyl]acetonitrile

Chemical Property:

• Vapor Pressure: 1.32E-07mmHg at 25°C
• Melting Point: 79oC
• Boiling Point: 430.2oC at 760 mmHg
• Flash Point: 214oC
• PSA: 79.45000
• Density: 1.362g/cm3
• LogP: 1.79878
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 185.01466426
• Heavy Atom Count: 12
• Complexity: 282

Purity/Quality:

99% ^*data from raw suppliers

2-[(2-FURYLMETHYL)SULFONYL]ACETONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• 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: C1=COC(=C1)CS(=O)(=O)CC#N