4-CHLORO-7-CHLOROSULFONYL-2,1,3-BENZOXADIAZOLE(142246-48-8) IR2
Product Name4-CHLORO-7-CHLOROSULFONYL-2,1,3-BENZOXADIAZOLE
CAS142246-48-8
Molecular FormulaC6H2Cl2N2O3S
Molecular Weight253.06
InChIInChI=1S/C6H2Cl2N2O3S/c7-3-1-2-4(14(8,11)12)6-5(3)9-13-10-6/h1-2H
InChIKey BPPRLMZEVZSIIJ-UHFFFAOYSA-N
SmilesN1=C2C(Cl)=CC=C(S(Cl)(=O)=O)C2=NO1
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MassMS-IW-7204 7-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride C6H2Cl2N2O3S (Mass of molecular ion: 252)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
30.0 8.9 36.0 1.9 37.0 2.3 38.0 1.3 48.0 1.4 49.0 1.2 51.0 1.3 61.0 4.8 62.0 2.4 63.0 1.9 64.0 3.1 72.0 2.5 73.0 1.6 74.0 3.6 75.0 2.0 76.0 2.3 86.0 1.4 87.0 5.8 88.0 23.4 89.0 2.8 97.0 1.6 98.0 5.4 100.0 1.9 104.0 2.2 117.0 1.3 122.0 1.0 123.0 6.9 124.0 1.8 125.0 3.1 139.0 2.4 141.0 3.3 143.0 1.5 152.0 1.1 153.0 13.1 154.0 2.1 155.0 4.3 158.0 3.3 160.0 2.2 169.0 5.0 171.0 1.7 188.0 3.4 190.0 2.2 217.0 100.0 218.0 8.2 219.0 37.1 220.0 3.0 221.0 1.7 252.0 18.1 253.0 1.5 254.0 12.4 255.0 1.0 256.0 2.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H2 Cl2 N2 O3 S 0.040 g : 0.5 ml CDCl3 7-chloro-2,1,3-benzoxadiazole-4-sulfonyl chloride 
Assign. Shift(ppm)
A 8.202 B 7.691
Hz ppm Int.3281.86 8.212 905 3279.05 8.205 29 3277.22 8.201 31 3274.29 8.193 1000 3081.67 7.711 23 3077.39 7.701 960 3074.71 7.694 30 3074.10 7.692 34 3073.12 7.690 34 3069.82 7.682 916
in CDCl3
KBr disc
nujol mull
