2,4-DINITROBENZENESULFENYL CHLORIDE(528-76-7) Raman
Product Name2,4-DINITROBENZENESULFENYL CHLORIDE
CAS528-76-7
Molecular FormulaC6H3ClN2O4S
Molecular Weight234.62
InChIInChI=1S/C6H3ClN2O4S/c7-14-6-2-1-4(8(10)11)3-5(6)9(12)13/h1-3H
InChIKey GPXDNWQSQHFKRB-UHFFFAOYSA-N
SmilesC1(SCl)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O
400 MHz in DMSO-d6
90 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 Cl N2 O4 S saturated in DMSO-d6 2,4-dinitrobenzenesulfenyl chloride 
Assign. Shift(ppm)
A 8.566 B 8.413 C 8.099
Hz ppm Int.3426.67 8.575 52 3424.22 8.569 901 3422.24 8.564 1000 3367.92 8.428 688 3365.63 8.422 612 3361.82 8.412 34 3359.38 8.406 740 3357.09 8.401 667 3239.29 8.106 986 3233.80 8.092 31 3230.74 8.084 826
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1H NMR 89.56 MHz C6 H3 Cl N2 O4 S 0.048 g : 0.5 ml CDCl3 2,4-dinitrobenzenesulfenyl chloride Assign. Shift(ppm)
A 9.155 B 8.594 C 8.243
Hz ppm Int.823.38 9.194 41 821.13 9.169 736 818.81 9.143 818 787.13 8.789 30 778.31 8.691 30 776.38 8.669 432 774.06 8.643 376 771.94 8.620 35 770.69 8.606 30 769.38 8.591 41 767.31 8.568 668 764.94 8.542 635 744.63 8.315 28 741.69 8.282 1000 738.19 8.243 31 737.69 8.237 36 737.38 8.234 36 732.56 8.180 602
in CDCl3
KBr disc
nujol mull
