O-CHLORAMINE T(110076-44-3) IR1
Product NameO-CHLORAMINE T
CAS110076-44-3
Molecular FormulaC7H7ClNNaO2S
Molecular Weight227.64
InChIInChI=1S/C7H7ClNO2S.Na/c1-6-4-2-3-5-7(6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1
InChIKey BMVGZYMMLBPFDA-UHFFFAOYSA-N
SmilesC1(S(=O)(=O)N(Cl)[Na])C=CC=CC=1C
400 MHz in DMSO-d6
-
1H NMR 399.65 MHz C7 H7 Cl N Na O2 S 0.040 g : 0.5 ml DMSO-d6 N-chloro-2-methylbenzenesulfonamide sodium salt 
Assign. Shift(ppm)
A 7.768 B 7.262 C 7.18 D 7.17 E 2.529
Hz ppm Int.3109.86 7.782 94 3107.91 7.777 140 3103.27 7.765 41 3101.32 7.761 118 3100.22 7.758 137 2911.99 7.287 45 2910.52 7.283 49 2905.27 7.270 69 2903.32 7.265 131 2897.34 7.250 108 2895.87 7.247 103 2874.39 7.193 246 2867.07 7.174 206 2860.84 7.159 51 2860.23 7.157 56 2859.38 7.155 50 2858.76 7.154 43 1010.74 2.530 1000
in DMSO-d6
KBr disc
nujol mull
