{"id":47870,"date":"2024-04-23T14:52:14","date_gmt":"2024-04-23T06:52:14","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/47870"},"modified":"2024-04-23T14:52:14","modified_gmt":"2024-04-23T06:52:14","slug":"14-bistrichloromethylbenzene","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/47870","title":{"rendered":"1,4-Bis(trichloromethyl)benzene","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-47869\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/04\/fcb243d7e69f41d4b0c0283044683dbd-1.gif\" width=\"198\" height=\"237\" alt=\"1,4-bis(trichloromethyl)benzene 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>01FC<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C8H4Cl6<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>312.84<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         1,4-Bis(trichloromethyl)benzene,<\/p>\n<p>                         \u03b1,\u03b1,\u03b1,\u03b1\u2019,\u03b1\u2019,\u03b1\u2019-hexachloro-p-xylene,<\/p>\n<p>                         For hexachlorobenzyl,<\/p>\n<p>                         Hexachloroparaxylene,<\/p>\n<p>                         1,4-bistrichlorotoluene,<\/p>\n<p>                         \u0391,\u0391,\u0391,\u0391&#8217;,\u0391&#8217;,\u0391&#8217;-hexachloro-p-xylene,<\/p>\n<p>                         antischistosomiasis drugs<\/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>68-36-0<\/p>\n<p><b>MDL number:<\/b>MFCD00000791<\/p>\n<p><b>EINECS number:<\/b>200-686-3<\/p>\n<p><b>RTECS number:<\/b>ZE4655000<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem ID:<\/b>None<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: White needle-like crystals or crystalline powder, with a special odor and tasteless.  It will slowly decompose when exposed to light and alkali and become acidic<\/p>\n<p>2. Density (g\/mL, 25\/4\u2103): Uncertain<\/p>\n<p>3. Relative vapor density (g\/mL,  Air=1): Uncertain<\/p>\n<p>4. Melting point (\u00baC): 106-110<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): 312<\/p>\n<p>6  . Boiling point (\u00baC, 5.2kPa): Uncertain<\/p>\n<p>7. Refractive index: Uncertain<\/p>\n<p>8. Flash point (\u00baC): Uncertain<\/p>\n<p>9  . Specific rotation (\u00ba): Uncertain<\/p>\n<p>10. Autoignition point or ignition temperature (\u00baC): Uncertain<\/p>\n<p>11. Vapor pressure (kPa, 25\u00baC): Uncertain  <\/p>\n<p>12. Saturated vapor pressure (kPa, 60\u00baC): Uncertain<\/p>\n<p>13. Heat of combustion (KJ\/mol): Uncertain<\/p>\n<p>14. Critical temperature  (\u00baC): Uncertain<\/p>\n<p>15. Critical pressure (KPa): Uncertain<\/p>\n<p>16. Log value of oil-water (octanol\/water) partition coefficient: Uncertain<\/p>\n<p>17. Explosion upper limit (%, V\/V): Uncertain<\/p>\n<p>18. Explosion lower limit (%, V\/V): Uncertain<\/p>\n<p>19. Solubility  : Insoluble in water, easily soluble in ethanol, xylene, petroleum ether and vegetable oil, etc.<\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     Acute toxicity: Rat oral LD50: 3200 mg\/kg; Breeding: Rat oral TDLo: 2330 mg\/kgSEX\/DURATION: male 26 week(s) pre-mating; Rat oral TDLo: 2330 mg\/kgSEX\/  DURATION: female 26 weeks(s) pre-mating;\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: 64.32<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 192.0<\/p>\n<p>3. &nbsp; Isotonic volume (90.2K): 495.2<\/p>\n<p>4. Surface tension (dyne\/cm): 44.2<\/p>\n<p>5. Polarizability (10-24cm3): 25.50<\/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: 0<\/p>\n<p>3. Number of hydrogen bond acceptors: 0<\/p>\n<p>4. Number of rotatable chemical bonds: 0<\/p>\n<p>5. Number of tautomers: none<\/p>\n<p>6. Topological molecule polar surface area 0<\/p>\n<p>7. Number of heavy atoms: 14<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 161<\/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>Store in an airtight container away from light.  <\/p>\n<\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     Using mixed xylene as raw material, it is first sulfonated with 98% sulfuric acid to generate m-xylene sulfonate.  The oil layer containing o- and p-xylene is separated from the sulfonation reaction product, washed with water, dried, and o- and p-xylene is distilled under reduced pressure.  The by-product m-xylene can be obtained by hydrolysis of m-xylene sulfonate.  1,4-bis(trichloromethyl)benzene is obtained by chlorination of o- and p-xylene: put o- and p-xylene into the reaction pot, and then add benzoyl peroxide and triethanolamine.  After heating to 70\u00b0C, introduce chlorine gas under light irradiation, react at 70-80\u00b0C for 6 hours, and then raise the temperature to 100-120\u00b0C to continue the reaction until the relative density of the reaction solution reaches 1.560-1.580 (65\u00b0C), which is the end point of the reaction.  Stop passing chlorine and remove residual chlorine under reduced pressure.  Cool to 5\u00b0C, filter, wash to obtain crude product, recrystallize, and decolorize with activated carbon to obtain finished product.  <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>Anti-schistosomiasis drugs.  It has certain effects on liver fluke disease, amoebiasis, malaria and intestinal nematodes.  However, adverse reactions to the nervous system are more common, and delayed reactions last longer.  <\/p>\n<\/p>\n<p>     extended-reading:https:\/\/www.newtopchem.com\/archives\/1021<\/br>extended-reading:https:\/\/www.bdmaee.net\/nt-cat-a-233-catalyst-cas1372-33-9-newtopchem\/<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/55<\/br>extended-reading:https:\/\/www.bdmaee.net\/dimethyltin-dichloride\/<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/101<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/44762<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/44671<\/br>extended-reading:https:\/\/www.cyclohexylamine.net\/n-methyl-methylcyclohexylamine\/<\/br>extended-reading:https:\/\/www.morpholine.org\/category\/morpholine\/page\/5404\/<\/br>extended-reading:https:\/\/www.cyclohexylamine.net\/polyurethane-tertiary-amine-catalyst-dabco-2039-catalyst\/<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 01FC Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":47869,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[532,15039],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/47870"}],"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=47870"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/47870\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/47869"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=47870"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=47870"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=47870"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}