{"id":49327,"date":"2024-05-28T18:07:30","date_gmt":"2024-05-28T10:07:30","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/49327"},"modified":"2024-05-28T18:07:30","modified_gmt":"2024-05-28T10:07:30","slug":"chlorhexidine-diacetate","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/49327","title":{"rendered":"Chlorhexidine diacetate","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-49326\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/05\/e0d8f191e2f242a4b6ddbb62f3b4564f.gif\" width=\"652\" height=\"227\" alt=\"Chlorhexidine diacetate 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>0187<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C22H30Cl2N10\u00b72C2H4O2<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>625.6<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         1,6-Bis(N5-[p-chlorophenyl]-N1-biguanido)hexane,<\/p>\n<p>                          1,1\u2032-Hexamethylenebis(5-[p-chlorophenyl]biguanide),<\/p>\n<p>                         Chlorhexidine acetate,<\/p>\n<p>                         Chlorhexidine acetate<\/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>56-95-1<\/p>\n<p><b>MDL number:<\/b>MFCD00012532<\/p>\n<p><b>EINECS number:<\/b>200-302-4<\/p>\n<p><b>RTECS number:<\/b>DU1930000<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem number:<\/b>24892838<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p>\n     <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>1.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Characteristics: white crystal  sex powder.  <\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>2.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Density (<\/SPAN><SPAN>g\/mL,25\/4<\/SPAN><SPAN>\u2103)  \uff1a<\/SPAN><SPAN> <\/SPAN><SPAN>Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>3.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Relative vapor density (<\/SPAN><SPAN>g\/mL,<\/SPAN>  <SPAN>Air<\/SPAN><SPAN>=1<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN>  <\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>4.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Melting point (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): <\/SPAN><SPAN>260-262<\/SPAN><SPAN>\u2103 decomposition<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>5.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Boiling point (<\/SPAN><SPAN>\u00baC,<\/SPAN><SPAN>Normal pressure): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>6.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Boiling point (<\/SPAN><SPAN>\u00baC,5.2kPa<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>7.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Refractive Index: Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>8.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Flashpoint (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>9.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Specific optical rotation (  <\/SPAN><SPAN>\u00ba<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>10.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Spontaneous ignition point or ignition  Combustion temperature (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): not  OK<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>11.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Vapor Pressure (<\/SPAN><SPAN>kPa,25\u00baC<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>12.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Saturated vapor pressure (  <\/SPAN><SPAN>kPa,60\u00baC<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN>  <\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>13.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Heat of combustion (<\/SPAN><SPAN>KJ\/mol<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>14.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Critical temperature (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>15.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Critical Pressure (<\/SPAN><SPAN>KPa<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>16.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Oil and water (octanol  <\/SPAN><SPAN>\/<\/SPAN><SPAN>Water) partition coefficient pair  Value: Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>17.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Explosion upper limit (<\/SPAN><SPAN>%,V\/V<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>18.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Lower explosion limit (<\/SPAN><SPAN>%,V\/V<\/SPAN><SPAN>): not  OK<\/SPAN><SPAN><\/SPAN><\/P><SPAN> 19.Solubility:<\/SPAN><SPAN>20<\/SPAN><SPAN>\u2103The solubility in water is<\/SPAN><SPAN>1.9g\/100ml<\/SPAN><SPAN>, soluble in ethanol.  <\/SPAN>\n     <\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     <SPAN>1<\/SPAN><SPAN>, Skin or Eye Irritation: Rabbit, Skin Contact<SPAN>, <\/SPAN>  Standard <SPAN> Draize<SPAN> <\/SPAN>test<\/SPAN> test, <SPAN>500mg\/24H<\/SPAN><\/SPAN><br \/>\n <SPAN><SPAN><SPAN>2<\/SPAN><SPAN>, acute toxicity:; mouse  Oral <SPAN>LD50<\/SPAN>: <SPAN>2mg\/kg<\/SPAN>; mouse abdominal cavity <SPAN>LD50<\/SPAN>: <SPAN>38mg\/kg<\/SPAN>; mouse subcutaneous <SPAN>LD50<\/SPAN>: <SPAN>325mg\/kg<\/SPAN>; mouse intravenous  <SPAN>LD50<\/SPAN>: <SPAN>25mg\/kg<\/SPAN><\/SPAN><\/SPAN><\/SPAN>\n     <\/p>\n<h2 id=\"st\">Ecological data<\/h2>\n<p>\n     None yet\n     <\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p>\n     None yet\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: 8<\/p>\n<p>3. Number of hydrogen bond acceptors: 6<\/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 252<\/p>\n<p>7. Number of heavy atoms: 42<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 680<\/p>\n<p>10. Number of isotope atoms: 0<\/p>\n<p>11. Determine the number of atomic stereocenters: 0<\/p>\n<p>12.The number of uncertain atomic stereocenters: 0<\/p>\n<p>13. The number of determined chemical bond stereocenters: 2<\/p>\n<p>14. The uncertain number of chemical bond stereocenters: 0<\/p>\n<p>15. Number of covalent bond units: 3<\/p>\n<\/p>\n<h2 id=\"xz\">Properties and stability<\/h2>\n<p>\n     None yet\n     <\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p>\n     <SPAN><SPAN> <\/SPAN><\/SPAN><SPAN>This product should be sealed and stored in a dry and dark place.  <\/SPAN>\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     <P class=\"MsoNormal\"><SPAN>It is prepared from p-chloroaniline through diazotization, condensation, elimination of denitrification, condensation, and neutralization to form a salt.  <\/SPAN><SPAN><\/SPAN><\/P>\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p>\n     <P class=\"MsoNormal\"><SPAN>Disinfectants.  It has a strong bactericidal effect on Gram-positive bacteria, negative bacteria and fungi, and is also effective on Pseudomonas aeruginosa.  Used for skin disinfection, wound irrigation, and surgical instrument disinfection.  <\/SPAN><SPAN><\/SPAN><\/P>\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/dabco-ne1070-gel-type-low-odor-catalyst\/\">https:\/\/www.cyclohexylamine.net\/dabco-ne1070-gel-type-low-odor-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.morpholine.org\/category\/morpholine\/dimethomorph\/\">https:\/\/www.morpholine.org\/category\/morpholine\/dimethomorph\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44159\">https:\/\/www.newtopchem.com\/archives\/44159<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/45010\">https:\/\/www.newtopchem.com\/archives\/45010<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/cas-3855-32-1\/\">https:\/\/www.bdmaee.net\/cas-3855-32-1\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/category\/product\/page\/13\/\">https:\/\/www.cyclohexylamine.net\/category\/product\/page\/13\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/jeffcat-td-33a-catalyst-cas107-16-9-huntsman\/\">https:\/\/www.bdmaee.net\/jeffcat-td-33a-catalyst-cas107-16-9-huntsman\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/pc-cat-np70-catalyst-nn-dimethylethylaminoethylene-glycol\/\">https:\/\/www.bdmaee.net\/pc-cat-np70-catalyst-nn-dimethylethylaminoethylene-glycol\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/nt-cat-pt1003\/\">https:\/\/www.bdmaee.net\/nt-cat-pt1003\/<\/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 0187 Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49326,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15443],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49327"}],"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=49327"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49327\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49326"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49327"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49327"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49327"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}