2-Chloro-5-nitrobenzaldehyde(6361-21-3) IR2

Product Name2-Chloro-5-nitrobenzaldehyde

CAS 6361-21-3

Molecular FormulaC7H4ClNO3

Molecular Weight185.56

InChIInChI=1S/C7H4ClNO3/c8-7-2-1-6(9(11)12)3-5(7)4-10/h1-4H

InChIKey VFVHWCKUHAEDMY-UHFFFAOYSA-N

SmilesC(=O)C1=CC([N+]([O-])=O)=CC=C1Cl

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2-Chloro-5-nitrobenzaldehyde(6361-21-3) IR2
Mass

MS-NW-3550          
2-chloro-5-nitrobenzaldehyde
C7H4ClNO3           (Mass of molecular ion:    185)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      28.0       3.9
      29.0       6.5
      30.0       9.5
      36.0       1.4
      37.0       4.5
      38.0       3.3
      39.0       1.7
      49.0       2.6
      50.0      16.8
      51.0       7.7
      53.0       1.1
      61.0       3.7
      62.0       3.3
      63.0       5.5
      64.0       1.1
      72.0       1.0
      73.0       6.5
      74.0      23.6
      75.0     100.0
      76.0      11.5
      84.0       3.6
      85.0       6.2
      86.0       1.9
      87.0       2.5
      99.0      10.4
     101.0       3.8
     103.0       4.2
     109.0       2.1
     110.0      11.5
     111.0      25.2
     112.0       5.4
     113.0       8.4
     126.0       2.2
     127.0       2.0
     138.0      15.7
     139.0      23.6
     140.0       7.0
     141.0       7.9
     149.0       1.3
     155.0       5.2
     157.0       2.1
     169.0       1.8
     184.0      75.1
     185.0      75.9
     186.0      30.8
     187.0      25.9
     188.0       2.4

90 MHz in CDCl3

2-Chloro-5-nitrobenzaldehyde(6361-21-3) IR2

¹H NMR	89.56 MHz
C₇ H₄ Cl N O₃	0.043 g : 0.5 ml CDCl₃
2-chloro-5-nitrobenzaldehyde

    Assign.     Shift(ppm)

      A            10.497
      B             8.736
      C             8.387
      D             7.709
     
     J(B,C)=2.8HZ. J(C,D)=8.8HZ.

     Hz     ppm     Int.

    940.21  10.499   1000
    784.20   8.757    263
    781.35   8.725    312
    757.62   8.460    204
    754.83   8.429    166
    748.83   8.362    260
    746.04   8.331    229
    694.34   7.753    351
    685.55   7.655    270

in CDCl3