{"id":47935,"date":"2024-04-24T14:12:14","date_gmt":"2024-04-24T06:12:14","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/47935"},"modified":"2024-04-24T14:12:14","modified_gmt":"2024-04-24T06:12:14","slug":"23-dichlorobenzoic-acid","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/47935","title":{"rendered":"2,3-Dichlorobenzoic acid","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-47934\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/04\/7660ef63087443768ac2295b4f98f93d.gif\" width=\"186\" height=\"227\" alt=\"2,3-Dichlorobenzoic 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>013P<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C7H4Cl2O2<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>191.01<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         Cl2C6H3CO2H<\/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>50-45-3<\/p>\n<p><b>MDL number:<\/b>MFCD00002413<\/p>\n<p><b>EINECS number:<\/b>200-039-5<\/p>\n<p><b>RTECS number:<\/b>DG6475000<\/p>\n<p><b>BRN number:<\/b>1946217<\/p>\n<p><b>PubChem number:<\/b>24853491<\/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): 168.3 \u00b0C (lit.)<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): Undetermined<\/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>9. Specific 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. Log value of oil-water (octanol\/water) partition coefficient  : 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: Slightly soluble in water<\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     1. Acute toxicity: mouse subcutaneous LD50: 900mg\/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: 42.97<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 125.8<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 341.1<\/p>\n<p>4. Surface tension (dyne\/cm): 53.9<\/p>\n<p>5. Polarizability (10-24cm3): 17.03<\/p>\n<\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Hydrophobic parameter calculation reference value (XlogP): 2.7<\/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:<\/p>\n<p>6. Topological molecular polar surface area (TPSA): 37.3<\/p>\n<p>7. Number of heavy atoms: 11<\/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. The number of determined atomic stereocenters: 0<\/p>\n<p>12. The number of uncertain atomic stereocenters: 0<\/p>\n<p>13.\ufffd\ufffdThe number of definite chemical bond stereocenters: 0<\/p>\n<p>14. The number of uncertain chemical bond stereocenters: 0<\/p>\n<p>15. The 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>Use 2,3-dichloroaniline through diazotization and Malvais reaction to obtain 2,3-dichlorobenzaldehyde, and then oxidize it with potassium permanganate to obtain 2,3-dichlorobenzoic acid.  Total yield 45%<\/p>\n<\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>2,3-Dichlorobenzoic acid is an important intermediate in the synthesis of the specific anti-epileptic drug lamotrigine and other drugs for the treatment of central nervous disorders<\/p>\n<\/p>\n<p>     extended-reading:https:\/\/www.newtopchem.com\/archives\/44888<\/br>extended-reading:https:\/\/www.morpholine.org\/nn-dicyclohexylmethylamine\/<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/44245<\/br>extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Polyurethane-rigid-foam-catalyst-CAS15875-13-5-Jeffcat-TR-90.pdf<\/br>extended-reading:https:\/\/www.bdmaee.net\/dabco-pt303-tertiary-amine-catalyst-dabco-pt303-catalyst-dabco-pt303\/<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/category\/products\/page\/58<\/br>extended-reading:https:\/\/www.bdmaee.net\/catalyst-a400\/<\/br>extended-reading:https:\/\/www.morpholine.org\/high-quality-cas-108-01-0-nn-dimethyl-ethanolamine-2-dimethylamineethanol-dmea-dimethylethanolamine\/<\/br>extended-reading:https:\/\/www.bdmaee.net\/pc-12\/<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/44995<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 013P Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":47934,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[24,15062],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/47935"}],"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=47935"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/47935\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/47934"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=47935"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=47935"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=47935"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}