{"id":48803,"date":"2024-05-15T18:16:47","date_gmt":"2024-05-15T10:16:47","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/48803"},"modified":"2024-05-15T18:16:47","modified_gmt":"2024-05-15T10:16:47","slug":"chlorhexidine","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/48803","title":{"rendered":"Chlorhexidine","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-48802\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/05\/5d844ee7762249069f33783e159566b1.gif\" width=\"624\" height=\"283\" alt=\"Chlorhexidine 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>016X<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C22H30Cl2N10<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>505.45<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         1,1&#8242;-Hexylbis[5-(p-chlorophenyl)biguanide],<\/p>\n<p>                         1,1&#8242;-Hexamethylenebis[5-(4-chlorophenyl)biguanide],<\/p>\n<p>                         chlorhexidine,<\/p>\n<p>                         disinfectant,<\/p>\n<p>                         preservative<\/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>55-56-1<\/p>\n<p><b>MDL number:<\/b>MFCD00009673<\/p>\n<p><b>EINECS number:<\/b>200-238-7<\/p>\n<p><b>RTECS number:<\/b>DU1925000<\/p>\n<p><b>BRN number:<\/b>2826432<\/p>\n<p><b>PubChem number:<\/b>24854905<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: Colorless crystals.  Sensitive to carbon dioxide.  <\/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): 134 <\/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: Dissolved in water (20\u00b0C): 0.08%  , strongly alkaline.  <\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p><p>1. Skin or eye irritation: human, skin contact, standard Draize test, 1500ug\/3D<\/p>\n<p>2. Acute toxicity: rat oral LD50: 9200uL\/kg; rat abdominal LD50: 60mg\/kg  ; Rat subcutaneous LD50: &gt;1mg\/kg; Mouse intravenous LC50: 21mg\/kg; Mouse oral LC50: 2515 mg\/kg; Mouse intraperitoneal LC50: 44mg\/kg; Mouse subcutaneous LC50: 632mg\/kg; Small  Rat intravenous LC50: 24 mg\/kg; rabbit intravenous LD: &gt;8mg\/kg3. Other multiple dose toxicity: rat oral TDLo: 150ul\/kg\/30D-I4, reproductive toxicity: male mouse oral TCLo: 1680mg\/kg  , 7 days before mating 5. Mutagenicity: mutation microorganismsTEST system: bacteria &#8211; Salmonella typhimurium: 14300pmol\/plate\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: 134.02<\/p>\n<p>2, Molar volume (cm<sup>3<\/sup>\/mol): 363.3<\/p>\n<p>3, Isotonic specific volume (90.2K): 999.1<\/p>\n<p>4. Surface tension (dyne\/cm): 57.1<\/p>\n<p>5. Polarizability (10<sup>-24<\/sup>cm<sup>3<\/sup>)  \uff1a53.13<\/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: 6<\/p>\n<p>3. Number of hydrogen bond acceptors: 2<\/p>\n<p>4. Number of rotatable chemical bonds: 13<\/p>\n<p>5. Number of tautomers: 36<\/p>\n<p>6. Topological molecular polar surface area 178<\/p>\n<p>7. Number of heavy atoms: 34<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 649<\/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: 2  <\/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 stored sealed with argon gas.  <strong><\/strong><\/p>\n<\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p>\n     Antiseptics, disinfectants.  Medical external antibacterial agents.  <strong> <\/strong>\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Lupragen-DMI-gel-catalyst-Lupragen-DMI-epoxy-resin-curing-agent-Lupragen-DMI.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Lupragen-DMI-gel-catalyst-Lupragen-DMI-epoxy-resin-curing-agent-Lupragen-DMI.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/polyurethane-catalyst-9727\/\">https:\/\/www.bdmaee.net\/polyurethane-catalyst-9727\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/cas-6425-39-4-22-dimorpholinodiethylether\/\">https:\/\/www.cyclohexylamine.net\/cas-6425-39-4-22-dimorpholinodiethylether\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/cas-3164-85-0-k-15-k-15-catalyst\/\">https:\/\/www.cyclohexylamine.net\/cas-3164-85-0-k-15-k-15-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/39805\">https:\/\/www.newtopchem.com\/archives\/39805<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/nt-cat-t96-catalyst-cas103-83-3-newtopchem\/\">https:\/\/www.bdmaee.net\/nt-cat-t96-catalyst-cas103-83-3-newtopchem\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Cyclohexanamine-CAS-7003-32-9-2-methylcyclohexylamine.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Cyclohexanamine-CAS-7003-32-9-2-methylcyclohexylamine.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/fascat4233-catalyst-butyl-tin-mercaptan-arkema-pmc\/\">https:\/\/www.bdmaee.net\/fascat4233-catalyst-butyl-tin-mercaptan-arkema-pmc\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44457\">https:\/\/www.newtopchem.com\/archives\/44457<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dabco-nem-niax-nem-jeffcat-nem\/\">https:\/\/www.bdmaee.net\/dabco-nem-niax-nem-jeffcat-nem\/<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 016X Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":48802,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15308],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48803"}],"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=48803"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48803\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/48802"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=48803"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=48803"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=48803"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}