2-(3-CARBOXYANILINO)-4,6-DICHLORO-1,3,5-TRIAZINE(26940-56-7) IR2
Product Name2-(3-CARBOXYANILINO)-4,6-DICHLORO-1,3,5-TRIAZINE
CAS26940-56-7
Molecular FormulaC10H6Cl2N4O2
Molecular Weight285.09
InChIInChI=1S/C10H6Cl2N4O2/c11-8-14-9(12)16-10(15-8)13-6-3-1-2-5(4-6)7(17)18/h1-4H,(H,17,18)(H,13,14,15,16)
InChIKey WQKKRBIBVKBSPV-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=CC(NC2=NC(Cl)=NC(Cl)=N2)=C1
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MassMS-NW-7004 m-((4,6-dichloro-1,3,5-triazin-2-yl)amino)benzoic acid C10H6Cl2N4O2 (Mass of molecular ion: 284)
Source Temperature: 210 °C Sample Temperature: 190 °C Direct, 75 eV
18.0 3.2 27.0 1.9 28.0 1.0 35.0 2.1 36.0 7.9 37.0 1.5 38.0 4.0 39.0 9.0 40.0 1.1 41.0 1.3 43.0 1.0 45.0 4.1 50.0 7.5 51.0 6.2 52.0 3.7 53.0 4.6 54.0 1.3 61.0 1.7 62.0 17.9 63.0 11.7 64.0 9.2 65.0 17.9 66.0 2.0 67.0 1.0 68.0 1.4 74.0 3.6 75.0 6.2 76.0 6.7 77.0 4.2 78.0 2.3 79.0 1.1 81.0 1.2 87.0 14.2 88.0 2.4 88.5 1.4 89.0 5.9 90.0 18.9 91.0 5.4 92.0 1.9 93.0 2.0 102.0 1.2 102.5 4.8 103.0 1.8 103.5 1.4 106.0 1.1 115.0 2.5 116.0 5.8 117.0 10.5 118.0 2.9 121.0 4.3 142.0 6.0 143.0 13.2 144.0 4.7 145.0 11.6 146.0 1.8 151.0 1.2 162.0 23.1 163.0 3.7 170.0 17.3 171.0 2.2 178.0 3.4 180.0 1.3 182.0 1.1 187.0 3.6 188.0 8.1 189.0 1.1 203.0 1.6 204.0 2.1 205.0 1.3 211.0 1.0 213.0 2.1 222.0 4.7 224.0 1.7 231.0 39.9 232.0 5.3 233.0 13.0 234.0 2.0 238.0 1.4 239.0 7.2 240.0 2.4 241.0 4.8 242.0 1.1 248.0 1.3 249.0 9.3 250.0 1.3 251.0 3.1 265.0 7.4 266.0 1.5 267.0 6.4 268.0 4.8 269.0 2.6 282.0 1.6 283.0 49.5 284.0 100.0 285.0 44.5 286.0 63.5 287.0 13.4 288.0 11.4 289.0 1.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C10 H6 Cl2 N4 O2 0.039 g : 0.5 ml DMSO-d6 m-((4,6-dichloro-1,3,5-triazin-2-yl)amino)benzoic acid 
Assign. Shift(ppm)
A 11.1 B 8.165 C *1 7.814 D *1 7.778 E 7.542
Hz ppm Int.4452.59 11.142 739 3263.48 8.166 1000 3127.38 7.826 511 3119.33 7.806 600 3112.18 7.788 603 3104.49 7.769 659 3021.51 7.561 458 3013.64 7.541 733 3005.76 7.521 331
KBr disc
nujol mull
