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Back ChemicalBook Home>CAS DataBase List>2505-31-9More Spectrum> 2,4,6-Trichlorophenyl isocyanate(2505-31-9) IR1

2505-31-9

2,4,6-Trichlorophenyl isocyanate(2505-31-9) IR1

Molecular FormulaC7H2Cl3NO

Molecular Weight222.46

InChIInChI=1S/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H

InChIKey VDYWXVDWKFAUKE-UHFFFAOYSA-N

SmilesC1(Cl)=CC(Cl)=CC(Cl)=C1N=C=O

  • 2,4,6-Trichlorophenyl isocyanate(2505-31-9) IR1
    Mass

    MS2007-03476WA      
    isocyanic acid 2,4,6-trichlorophenyl ester
    C7H2Cl3NO           (Mass of molecular ion:    221)
    

       Source Temperature: 250 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          18.0       2.2
          35.0       1.1
          37.0       3.7
          38.0       1.1
          47.0       3.1
          49.0       2.0
          50.0       2.5
          51.0       2.1
          60.0       2.8
          61.0       8.0
          61.5       1.2
          62.0       4.0
          63.0       2.7
          71.0       2.2
          72.0       5.3
          73.0       5.8
          74.0       3.3
          75.0       2.7
          76.0       1.6
          83.0       2.6
          84.0       2.9
          85.0       2.0
          86.0       4.2
          87.0       9.0
          88.0      11.7
          95.0       1.2
          96.0       1.9
          96.5       1.0
          97.0       3.4
          97.5       1.0
          98.0       8.8
          99.0       1.6
         100.0       2.7
         106.0       1.4
         107.0       4.8
         108.0       3.1
         109.0       3.6
         110.0       2.1
         110.5       2.7
         111.0       1.1
         111.5       2.6
         121.0       1.1
         122.0       5.8
         123.0       1.3
         124.0       2.0
         131.0       3.0
         132.0       1.5
         133.0       2.1
         134.0       1.0
         158.0      71.7
         159.0       5.1
         160.0      45.9
         161.0       3.2
         162.0       7.4
         167.0       1.4
         193.0      14.7
         194.0       1.4
         195.0      14.5
         196.0       1.1
         197.0       4.8
         221.0     100.0
         222.0       7.9
         223.0      96.1
         224.0       7.6
         225.0      30.7
         226.0       2.5
         227.0       3.4
    

KBr disk

  • 2,4,6-Trichlorophenyl isocyanate(2505-31-9) IR1

Nujol

  • 2,4,6-Trichlorophenyl isocyanate(2505-31-9) IR1

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