16766-29-3

Usage

InChI:InChI=1/C8H7Cl3O2/c1-12-5-3-4(9)6(10)7(11)8(5)13-2/h3H,1-2H3

Upstream product

• 90-05-1 2-methoxy-phenol 
• 120-80-9 benzene-1,2-diol 
• 2668-24-8 4,5,6-trichloroguaiacol 
• 57057-83-7 3,4,5-trichloroguaiacol 
• 56961-20-7 3,4,5-Trichlorbenzkatechin 
• 74-88-4 methyl iodide 

Relevant academic research and scientific papers

13C and 17O NMR Study of Methoxy Groups in Chlorinated Di- and Trimethoxybenzenes

13C and 17O NMR data for the methoxy groups in isomeric 1,2-, 1,3- and 1,4-dimethoxybenzenes, 1,2,3-trimethoxybenzenes and most of their chlorinated derivatives and some related brominated compounds were measured for CDCl3 solutions.The 17O NMR chemical shifts show up to 60 ppm dispersion.Comparison between the compounds with and without adjacent chlorine atoms (2,6-di- and 2,4,6-trisubstitution) also showed a clear methoxy carbon chemical shift change.The number and position of the chlorine atoms in the aromatic ring give small but observable effects on the 17O NMR chemical shifts of the methoxy group if it is coplanar with the aromatic plane.Similarly, the degree and nature of the substitution have a minor effect (about 1 Hz) on the 1J(CH) direct coupling values.

Mass Spectra of Chlorinated Veratroles (1,2-dimethoxybenzenes)

The behaviour of all nine chlorinated veratroles (1,2-dimethoxybenzenes) under electron impact has been investigated.The most common fragmentation processes are interpreted using metastable ion analysis and deuterium labelled compounds.For all compounds studied, the most common fragmentation route seems to be the primary loss of a methyl radical followed by loss of carbon monoxide.The ion formed has a well-known quinonoid structure and fragments by several routes elucidated by metastable ion analysis.In general, the spectra of the positional isomers are shown to be practically similar and it is apparent the e.g. the 3- and 4-chloro isomers can be differentiated only from the abundance ratio of the +. and + ions.

Synthesis, X-ray structure determination, and formation of 3,4,5-trichloroquaiacol occuring in kraft pulp spent bleach liquors

3,4,5-Trichloroquaiacol, which is formed during bleaching of chemical pulp and shown to bioaccumulate in fish, has been synthesized.The structure of the compound has been determined by means of X-ray analysis.The values of the 13C nmr chemical shifts and melting point differ from those previously reported.A reaction mechanism is suggested for the formation of 3,4,5- and 4,5,6-trichloroguaiacol.