2,3,4-TRICHLORONITROBENZENE(17700-09-3) IR1
Product Name2,3,4-TRICHLORONITROBENZENE
CAS17700-09-3
Molecular FormulaC6H2Cl3NO2
Molecular Weight226.44
InChIInChI=1S/C6H2Cl3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
InChIKey BGKIECJVXXHLDP-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C([N+]([O-])=O)C(Cl)=C1Cl
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MassMS-NW-9646 1,2,3-trichloro-4-nitrobenzene C6H2Cl3NO2 (Mass of molecular ion: 225)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 2.0 28.0 2.8 30.0 36.3 35.0 1.2 36.0 4.0 37.0 6.1 38.0 2.6 47.0 1.9 48.0 1.0 49.0 3.8 50.0 2.9 54.0 1.4 60.0 2.0 61.0 5.4 62.0 3.8 71.0 2.2 72.0 4.5 73.0 17.2 74.0 41.7 75.0 3.9 83.0 5.5 84.0 19.6 85.0 5.9 86.0 7.0 87.0 2.5 88.0 1.1 96.0 2.4 97.0 8.5 98.0 1.7 99.0 2.8 106.0 1.2 107.0 8.7 108.0 30.1 109.0 43.3 110.0 12.6 111.0 13.5 112.0 1.0 118.0 4.8 119.0 4.3 120.0 3.3 121.0 2.8 122.0 1.0 125.0 1.2 131.0 1.3 132.0 2.0 133.0 1.0 134.0 1.4 143.0 73.7 144.0 32.1 145.0 49.6 146.0 20.7 147.0 9.1 148.0 3.4 158.0 1.2 160.0 4.1 162.0 2.6 167.0 69.6 168.0 4.0 169.0 67.5 170.0 3.7 171.0 22.0 172.0 1.3 173.0 2.4 178.0 1.1 179.0 81.2 180.0 7.0 181.0 78.9 182.0 6.1 183.0 25.2 184.0 1.9 185.0 2.8 195.0 57.7 196.0 3.9 197.0 55.4 198.0 3.8 199.0 18.4 200.0 1.2 201.0 2.0 209.0 4.0 211.0 3.8 213.0 1.3 225.0 100.0 226.0 7.0 227.0 96.3 228.0 6.8 229.0 31.4 230.0 2.3 231.0 3.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H2 Cl3 N O2 0.036 g : 0.5 ml CDCl3 1,2,3-trichloro-4-nitrobenzene 
Assign. Shift(ppm)
A 7.681 B 7.560 J(A,B)=8.8HZ
Hz ppm Int.694.81 7.759 222 688.81 7.692 33 686.00 7.660 785 683.31 7.630 61 682.56 7.622 57 682.00 7.616 57 681.69 7.612 58 679.38 7.586 1000 677.56 7.566 77 675.69 7.545 42 674.44 7.531 40 673.94 7.526 32 672.50 7.509 32 670.56 7.488 300
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
