Cas no 5697-44-9 (2-(4-methylbenzenesulfonyl)acetonitrile)

2-(4-methylbenzenesulfonyl)acetonitrile structure
5697-44-9 structure
Product Name:2-(4-methylbenzenesulfonyl)acetonitrile
CAS No:5697-44-9
MF:C9H9NO2S
MW:195.238260984421
MDL:MFCD00039487
CID:46100
PubChem ID:87576679
Update Time:2025-04-18

2-(4-methylbenzenesulfonyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Tosylacetonitrile
    • p-Toluenesulphonylacetonitrile
    • 4-(Methylphenyl)sulphonylacetonitrile
    • 2-(4-methylphenyl)sulfonylacetonitrile
    • 4-(Methylphenyl)sulfonylacetonitrile
    • 4-Toluenesulfonylacetonitrile
    • P-TOLUENESULFONYLACETONITRILE
    • p-(Cyanomethylsulfonyl)toluene
    • p-Tolylsulfonylacetonitrile
    • 4-(Toluenesulphonyl)acetonitrile
    • [(4-Methylphenyl)sulfonyl]acetonitrile
    • Tosylacetonitrile
    • Tosylmethyl Isocyanide-
    • 4-toluenesulphonylacetonitrile
    • 2-(4-methylbenzenesulfonyl)acetonitrile
    • Acetonitrile, [(4-methylphenyl)sulfonyl]-
    • BBNNLJMGPASZPD-UHFFFAOYSA-N
    • 2-[(4-met
    • NSC-125922
    • (Toluene-4-sulfonyl)-acetonitrile
    • CS-0063812
    • (4-methylphenyl)sulfonylacetonitrile
    • A8140
    • EN300-01482
    • BBNNLJMGPASZPD-UHFFFAOYSA-
    • FS-1061
    • p-Toluenesufonyl Methylisocyanide
    • [(4-Methylphenyl)sulfonyl]acetonitrile #
    • AC-1441
    • p-tolylsulphonyl-acetonitrile
    • NS00033619
    • Z57167805
    • AKOS000264739
    • FT-0635810
    • 3XRA8X3VVZ
    • AMY3235
    • UNII-3XRA8X3VVZ
    • HMS1440N07
    • EINECS 227-173-7
    • MFCD00039487
    • SCHEMBL1169954
    • (toluene-4-sulfonyl)acetonitrile
    • SY048449
    • BB 0219426
    • F1085-0009
    • NSC125922
    • IDI1_014848
    • 4-(Toluenesulfonyl)acetonitrile
    • DTXSID90205547
    • NSC 125922
    • Maybridge3_003461
    • 5697-44-9
    • InChI=1/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3
    • T0846
    • 2-tosylacetonitrile;4-(Toluenesulphonyl)acetonitrile; p-Toluenesulfonylacetonitrile
    • 4-Methylbenzenesulfonylacetonitrile
    • STK400675
    • MDL： MFCD00039487
    • Inchi： 1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11,12)7-6-10/h2-5H,7H2,1H3
    • InChI Key： BBNNLJMGPASZPD-UHFFFAOYSA-N
    • SMILES： S(CC#N)(C1C=CC(C)=CC=1)(=O)=O
    • BRN： 1842131

Computed Properties

  • Exact Mass: 195.03500
  • Monoisotopic Mass: 195.035
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 298
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.3
  • Topological Polar Surface Area: 66.3

Experimental Properties

  • Color/Form: Gray white crystalline powder
  • Density: 1.2721 (rough estimate)
  • 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)
  • PSA: 66.31000
  • LogP: 2.37308

2-(4-methylbenzenesulfonyl)acetonitrile Security Information

2-(4-methylbenzenesulfonyl)acetonitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-(4-methylbenzenesulfonyl)acetonitrile Pricemore >>

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