2,3,4,6-TETRACHLOROPHENOL(58-90-2) IR3
Product Name2,3,4,6-TETRACHLOROPHENOL
CAS58-90-2
Molecular FormulaC6H2Cl4O
Molecular Weight231.89
InChIInChI=1S/C6H2Cl4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H
InChIKey VGVRPFIJEJYOFN-UHFFFAOYSA-N
SmilesC1(O)=C(Cl)C=C(Cl)C(Cl)=C1Cl
-
MassMS-NW-1247 2,3,4,6-tetrachlorophenol C6H2Cl4O (Mass of molecular ion: 230)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
17.0 1.8 18.0 7.9 29.0 1.3 35.0 1.8 36.0 2.9 37.0 3.4 47.0 2.4 48.0 3.9 49.0 2.5 53.0 3.2 60.0 5.2 61.0 13.3 62.0 4.4 65.0 7.2 65.5 1.4 66.0 4.8 71.0 3.3 72.0 2.8 73.0 2.7 83.0 7.1 84.0 6.1 85.0 2.9 87.0 3.1 89.0 1.2 95.0 4.0 96.0 12.6 97.0 7.5 98.0 5.5 99.0 2.4 106.0 2.0 107.0 5.7 108.0 2.4 109.0 3.8 115.0 1.7 116.0 2.2 117.0 1.3 124.0 1.6 130.0 1.8 131.0 30.7 132.0 3.2 133.0 20.4 134.0 1.5 135.0 3.6 141.0 1.3 143.0 1.6 165.0 1.9 166.0 21.6 167.0 7.6 168.0 20.5 169.0 6.0 170.0 7.0 171.0 1.8 194.0 13.2 195.0 1.1 196.0 13.2 197.0 1.1 198.0 4.2 200.0 1.1 201.0 1.9 202.0 1.1 203.0 2.6 205.0 1.3 230.0 78.3 231.0 5.7 232.0 100.0 233.0 6.8 234.0 47.6 235.0 3.3 236.0 10.7 264.0 3.9 266.0 6.3 268.0 4.0 270.0 1.3
parameter in CDCl3
-
1H NMR 300 MHz C6 H2 Cl4 O 0.048 g : 0.5 ml CDCl3 2,3,4,6-tetrachlorophenol 
Parameter ppm Hz
D(A) 7.405 D(B) 5.98
Hz ppm Int.2221.50 7.405 1000 1793.40 5.978 313
in CDCl3
CCl4 solution
KBr disc
nujol mull
