2,4,6-Trichlorophenol(88-06-2) Raman
Product Name2,4,6-Trichlorophenol
CAS88-06-2
Molecular FormulaC6H3Cl3O
Molecular Weight197.45
InChIInChI=1S/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey LINPIYWFGCPVIE-UHFFFAOYSA-N
SmilesC1(O)=C(Cl)C=C(Cl)C=C1Cl
-
MassMS-NW-0282 2,4,6-trichlorophenol C6H3Cl3O (Mass of molecular ion: 196)
Source Temperature: 100 °C Sample Temperature: 0 °C Direct, 75 eV
37.0 2.3 48.0 6.7 48.5 1.3 49.0 2.7 50.0 1.1 53.0 3.0 60.0 1.7 61.0 6.0 62.0 7.7 63.0 3.0 66.0 4.9 67.0 3.2 72.0 2.3 73.0 3.7 74.0 1.1 75.0 1.0 80.0 1.9 81.0 1.1 83.0 1.4 96.0 2.3 97.0 25.5 98.0 5.3 99.0 11.0 100.0 1.7 107.0 2.7 109.0 1.8 125.0 1.0 132.0 24.4 133.0 5.4 134.0 15.8 135.0 3.4 136.0 2.6 160.0 12.9 161.0 1.2 162.0 8.8 164.0 1.4 167.0 2.2 169.0 2.0 196.0 100.0 197.0 7.3 198.0 95.1 199.0 6.8 200.0 30.9 201.0 2.0 202.0 3.5
parameter in CDCl3
400 MHz in CDCl3
-
1H NMR 300 MHz C6 H3 Cl3 O 0.035 g : 0.5 ml CDCl3 2,4,6-trichlorophenol 
Parameter ppm Hz
D(A) 7.267 D(B) 5.82
Hz ppm Int.2180.10 7.267 1000 1746.00 5.820 149
-
1H NMR 399.65 MHz C6 H3 Cl3 O 0.039 g : 0.5 ml CDCl3 2,4,6-trichlorophenol Assign. Shift(ppm)
A 7.273 B 5.88
Hz ppm Int.2906.86 7.274 1000 2348.39 5.877 481
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,100M,powder
