{"id":48132,"date":"2024-04-28T15:51:30","date_gmt":"2024-04-28T07:51:30","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/48132"},"modified":"2024-04-28T15:51:30","modified_gmt":"2024-04-28T07:51:30","slug":"35-dichlorobenzoic-acid","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/48132","title":{"rendered":"3,5-Dichlorobenzoic acid","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-48131\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/04\/58a291fed48f4bcdbeb5f0e9655d52f6.gif\" width=\"189\" height=\"227\" alt=\"3,5-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>014Q<\/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>                         3,5-Dichlorobenzoic acid,<\/p>\n<p>                         Benzoic acid, 3,5-dichloro-<\/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>51-36-5<\/p>\n<p><b>MDL number:<\/b>MFCD00002494<\/p>\n<p><b>EINECS number:<\/b>200-092-4<\/p>\n<p><b>RTECS number:<\/b>DG7350000<\/p>\n<p><b>BRN number:<\/b>2044776<\/p>\n<p><b>PubChem number:<\/b>24861653<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: brown powder.  <\/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): 188<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): Undetermined<\/p>\n<p>6. Boiling point (\u00baC, 5.2kPa): Undetermined  <\/p>\n<p>7. Refractive index: Undetermined<\/p>\n<p>8. Flash point (\u00baC): Undetermined<\/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. Lower explosion 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: 250mg\/kg; mouse abdominal LD50: 237mg\/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): 2.2<\/p>\n<p>2. Number of hydrogen bond donors: 2<\/p>\n<p>3. Number of hydrogen bond acceptors: 6<\/p>\n<p>4. Number of rotatable chemical bonds: 4<\/p>\n<p>5. Number of tautomers: 10<\/p>\n<p>6. Topological molecular polar surface area (TPSA): 101<\/p>\n<p>  p&gt;<\/p>\n<p>7. Number of heavy atoms: 29<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 786<\/p>\n<p>10. Number of isotope atoms  \uff1a0<\/p>\n<p>11. Determine the atomic stereocenter\ufffd\ufffdNumber: 7<\/p>\n<p>12. Number of uncertain atomic stereocenters: 0<\/p>\n<p>13. Number of determined chemical bond stereocenters: 0<\/p>\n<p>14. No  Determine the number of stereocenters of chemical bonds: 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>\n     None\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p>\n     None\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1811\">https:\/\/www.newtopchem.com\/archives\/1811<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/nt-cat-nem-catalyst-cas100-74-3-newtopchem\/\">https:\/\/www.bdmaee.net\/nt-cat-nem-catalyst-cas100-74-3-newtopchem\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44417\">https:\/\/www.newtopchem.com\/archives\/44417<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1787\">https:\/\/www.newtopchem.com\/archives\/1787<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44451\">https:\/\/www.newtopchem.com\/archives\/44451<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/dabco-xd-103-dabco-tertiary-amine-catalyst\/\">https:\/\/www.cyclohexylamine.net\/dabco-xd-103-dabco-tertiary-amine-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/cas%ef%bc%9a-2969-81-5\/\">https:\/\/www.bdmaee.net\/cas%ef%bc%9a-2969-81-5\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/cas-616-47-7\/\">https:\/\/www.bdmaee.net\/cas-616-47-7\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2021\/05\/3-7.jpg\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2021\/05\/3-7.jpg<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/pc5-catalyst\/\">https:\/\/www.bdmaee.net\/pc5-catalyst\/<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 014Q Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":48131,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[534,15099],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48132"}],"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=48132"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48132\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/48131"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=48132"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=48132"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=48132"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}