3,4-Dichlorobenzaldehyde(6287-38-3) IR2
Product Name3,4-Dichlorobenzaldehyde
CAS6287-38-3
Molecular FormulaC7H4Cl2O
Molecular Weight175.01
InChIInChI=1S/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKey ZWUSBSHBFFPRNE-UHFFFAOYSA-N
SmilesC(=O)C1=CC=C(Cl)C(Cl)=C1
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MassMS-NW-8785 3,4-dichlorobenzaldehyde C7H4Cl2O (Mass of molecular ion: 174)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
29.0 2.8 36.0 1.7 37.0 2.9 38.0 1.9 49.0 2.3 50.0 8.9 51.0 3.5 54.5 1.4 55.0 2.1 61.0 2.2 62.0 1.1 69.0 1.0 72.0 1.1 73.0 7.2 74.0 19.0 75.0 25.1 76.0 2.2 84.0 5.2 85.0 4.2 86.0 2.3 87.0 1.6 108.0 1.1 109.0 14.2 110.0 6.2 111.0 15.7 112.0 2.6 113.0 3.8 145.0 41.1 146.0 7.3 147.0 26.7 148.0 4.6 149.0 4.6 173.0 100.0 174.0 66.8 175.0 69.4 176.0 43.3 177.0 13.6 178.0 7.1
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C7 H4 Cl2 O 0.039 g : 0.5 ml CDCl3 3,4-dichlorobenzaldehyde 
Assign. Shift(ppm)
A 9.959 B 7.961 C 7.728 D 7.641 J(C,D)=8.2HZ. J(B,C)=1.8HZ.
Hz ppm Int.3980.10 9.959 1000 3186.34 7.973 25 3182.68 7.964 589 3180.85 7.960 691 3097.84 7.752 24 3094.33 7.743 313 3092.50 7.739 280 3089.75 7.732 23 3086.09 7.722 463 3084.26 7.718 452 3060.61 7.659 27 3056.64 7.649 603 3052.67 7.639 24 3048.40 7.628 403
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1H NMR 89.56 MHz C7 H4 Cl2 O 0.045 g : 0.5 ml CDCl3 3,4-dichlorobenzaldehyde Assign. Shift(ppm)
A 9.952 B 7.955 C 7.71 D 7.65
Hz ppm Int.891.44 9.954 1000 891.06 9.950 826 713.56 7.968 422 713.00 7.962 377 711.88 7.949 551 711.25 7.942 452 698.13 7.796 176 696.50 7.777 91 689.94 7.704 779 689.25 7.696 77 688.25 7.685 741 686.38 7.664 505 686.00 7.660 582 685.44 7.654 406 678.19 7.573 85 677.81 7.569 94 677.19 7.562 62
in CDCl3
CCl4 solution
KBr disc
4880 A,100M,powder
