{"id":47933,"date":"2024-04-24T14:10:24","date_gmt":"2024-04-24T06:10:24","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/47933"},"modified":"2024-04-24T14:10:24","modified_gmt":"2024-04-24T06:10:24","slug":"246-trichlorobenzoic-acid","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/47933","title":{"rendered":"2,4,6-Trichlorobenzoic acid","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-47932\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/04\/5d74551665ef483bbd4c6ff2fee46988.gif\" width=\"186\" height=\"227\" alt=\"2,4,6-Trichlorobenzoic acid structural formula\" \/><\/p>\n<p>Structural formula<\/p>\n<table class=\"summary-table table table-striped table-bordered\">\n<col width=\"90\" \/>\n<tbody>\n<tr>\n<th scope=\"row\">Business number<\/th>\n<td>013N<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C7H3O2Cl3<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>225.46<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         Trysben(TM),<\/p>\n<p>                         Cl3C6H2CO2H<\/p>\n<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<ul class=\"nav nav-tabs\">\n<li class=\"active\"><a href=\"#bh\">Numbering system<\/a><\/li>\n<li><a href=\"#wx\">Physical property data<\/a><\/li>\n<li><a href=\"#dl\">Toxicological data<\/a><\/li>\n<li><a href=\"#st\">Ecological data<\/a><\/li>\n<li><a href=\"#fz\">Molecular structure data<\/a><\/li>\n<li><a href=\"#js\">Computing chemical data<\/a><\/li>\n<li class=\"dropdown pull-right\">\n                     <a href=\"\" class=\"dropdown-toggle\">More <span class=\"caret\"><\/span><\/a><\/p>\n<ul class=\"dropdown-menu\" role=\"menu\">\n<li><a href=\"#xz\">Properties and Stability<\/a><\/li>\n<li><a href=\"#zc\">Storage method<\/a><\/li>\n<li><a href=\"#hc\">Synthesis method<\/a><\/li>\n<li><a href=\"#yt\">Purpose<\/a><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<h2 id=\"bh\">Numbering system<\/h2>\n<p><b>CAS number:<\/b>50-43-1<\/p>\n<p><b>MDL number:<\/b>MFCD00060699<\/p>\n<p><b>EINECS number:<\/b>None<\/p>\n<p><b>RTECS number:<\/b>DH8050000<\/p>\n<p><b>BRN number:<\/b>1874127<\/p>\n<p><b>PubChem number:<\/b>24861240<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Character: white crystal<\/p>\n<p>2. Density (g\/mL, 25\/4\u2103): Undetermined<\/p>\n<p>3. Relative vapor density (g\/mL, air  =1): Undetermined<\/p>\n<p>4. Melting point (\u00baC): 160-164 \u00b0C (lit.)<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): Undetermined<\/p>\n<p>  p&gt;<\/p>\n<p>6. Boiling point (\u00baC, 5.2 kPa): Not determined<\/p>\n<p>7. Refractive index: Not determined<\/p>\n<p>8. Flash point (\u00baC): Not determined<\/p>\n<p>  p&gt;<\/p>\n<p>9. Specific optical rotation (\u00ba): Undetermined<\/p>\n<p>10. Autoignition point or ignition temperature (\u00baC): Undetermined<\/p>\n<p>11. Vapor pressure (kPa  , 25 \u00baC): Undetermined<\/p>\n<p>12. Saturated vapor pressure (kPa, 60 \u00baC): Undetermined<\/p>\n<p>13. Heat of combustion (KJ\/mol): Undetermined<\/p>\n<p>14. Critical temperature (\u00baC): Undetermined<\/p>\n<p>15. Critical pressure (KPa): Undetermined<\/p>\n<p>16. Oil-water (octanol\/water) distribution coefficient  Log value: Undetermined<\/p>\n<p>17. Explosion upper limit (%, V\/V): Undetermined<\/p>\n<p>18. Explosion lower limit (%, V\/V): Undetermined<\/p>\n<p>19. Solubility: Undetermined<\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     1. Acute toxicity: mouse subcutaneous LD50: 1200mg\/kg\n     <\/p>\n<h2 id=\"st\">Ecological data<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p><p>1. Molar refractive index: 47.86<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 137.8<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 377.0<\/p>\n<p>4. Surface tension (dyne\/cm): 56.0<\/p>\n<p>5. Polarizability (10-24cm3): 18.97<\/p>\n<\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Reference value for hydrophobic parameter calculation (XlogP): None<\/P><\/p>\n<p>2. Number of hydrogen bond donors: 1<\/p>\n<p>3. Number of hydrogen bond acceptors: 2<\/p>\n<p>4. Number of rotatable chemical bonds: 1<\/p>\n<p>5. Number of tautomers: none<\/p>\n<p>6. Topological molecule polar surface area 37.3<\/p>\n<p>7. Number of heavy atoms: 12<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 174<\/p>\n<p>10. Number of isotope atoms: 0<\/p>\n<p>11. Determine the number of atomic stereocenters: 0<\/p>\n<p>12. Uncertain number of atomic stereocenters: 0<\/p>\n<p>13. Determine the number of chemical bond stereocenters: 0  <\/p>\n<p>14. Number of uncertain chemical bond stereocenters: 0<\/p>\n<p>15. Number of covalent bond units: 1<\/p>\n<\/p>\n<h2 id=\"xz\">Properties and stability<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p><p>This product should be sealed and stored in a dry place away from light.  <\/p>\n<\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p><p>1-Alkylcarbonyl-2,4,6-trichlorobenzene is prepared by Fuckers acylation of 1,3,5-trichlorobenzene; the 1-alkylcarbonyl-2,4,6  -The oxidation reaction of trichlorobenzene produces 2,4,6-trichlorobenzoate; and the acidification reaction of the produced 2,4,6-trichlorobenzoate produces 2,4,6-  Trichlorobenzoic acid.  <\/p>\n<\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>Used in the synthesis of medicines, insecticides, and fungicides<\/p>\n<\/p>\n<p>     extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Dibutyltin-diacetate-CAS1067-33-0-dibutyl-tin-diacetate.pdf<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/44304<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/44011<\/br>extended-reading:https:\/\/www.bdmaee.net\/nt-cat-pc520-catalyst-cas10294-43-5-newtopchem\/<\/br>extended-reading:https:\/\/www.bdmaee.net\/dabco-tetn-catalyst-cas280-57-9-evonik-germany\/<\/br>extended-reading:https:\/\/www.cyclohexylamine.net\/dabco-foaming-catalyst-polyurethane-foaming-catalyst-ne300\/<\/br>extended-reading:https:\/\/www.bdmaee.net\/niax-dmee-low-odor-reactive-catalysts-momentive\/<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/26<\/br>extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/33-6.jpg<\/br>extended-reading:https:\/\/www.bdmaee.net\/tmg-nnn%e2%80%b2n%e2%80%b2-tetramethylguanidine-cas80-70-6\/<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 013N Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":47932,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[24,1054,15061],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/47933"}],"collection":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/comments?post=47933"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/47933\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/47932"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=47933"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=47933"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=47933"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}