{"id":49417,"date":"2024-05-30T17:31:28","date_gmt":"2024-05-30T09:31:28","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/49417"},"modified":"2024-05-30T17:31:28","modified_gmt":"2024-05-30T09:31:28","slug":"phenobarbital-sodium","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/49417","title":{"rendered":"Phenobarbital Sodium","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-49416\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/05\/db07764fe52a4efdacab991186fca871.gif\" width=\"320\" height=\"155\" alt=\"Phenobarbital Sodium 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>018J<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C12H11N2NaO3<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>254.22<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         5-Ethyl-5-phenyl-1-methyl-2,4,6-(1H,3H,5H)-pyrimidintrione monosodium salt,<\/p>\n<p>                         5-Ethyl-5-phenyl-2,4,6-trioxohexahydropyrimidine sodium salt,<\/p>\n<p>                          5-Ethyl-5-phenylbarbituric acid sodium salt<\/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>57-30-7<\/p>\n<p><b>MDL number:<\/b>MFCD00036211<\/p>\n<p><b>EINECS number:<\/b>200-322-3<\/p>\n<p><b>RTECS number:<\/b>CQ7000000<\/p>\n<p><b>BRN number:<\/b>3802044<\/p>\n<p><b>PubChem number:<\/b>24898608<\/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>Appearance: crystal or white powder.  Bitter taste.  Slightly hygroscopic.  <\/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&gt;<SPAN>Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>3.<SPAN>\u00a0\u00a0\u00a0\u00a0\u00a0 &nbsp; <\/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> <SPAN> <\/SPAN><SPAN>284<\/SPAN><\/SPAN><SPAN>\uff5e<\/SPAN><SPAN>286<\/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>Flash point (<\/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 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>Autoignition point or ignition temperature (<\/SPAN><SPAN>\u00baC<\/SPAN><SPAN>): Undetermined<\/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>Burning Heat (<\/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>Log value of partition coefficient for water: undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>17.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Explosion 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>Explosion lower limit (<\/SPAN><SPAN>%,V\/V<\/SPAN><SPAN>): Undetermined<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>19.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Solubility:<\/SPAN><SPAN>1g<\/SPAN><SPAN>Product dissolves in approx.<\/SPAN><SPAN>1ml<\/SPAN><SPAN>Water, about<\/SPAN><SPAN>10ml<\/SPAN><SPAN>Ethanol, insoluble in ether and chloroform. Aqueous solution is alkaline to litmus and phenolphthalein,<\/SPAN><SPAN>pH9.3<\/SPAN><SPAN>.<\/SPAN><SPAN><\/SPAN><\/P>\n     <\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     None\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>\n     None\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: 1<\/p>\n<p>3. Number of hydrogen bond acceptors: 3<\/p>\n<p>4. Number of rotatable chemical bonds: 2<\/p>\n<p>5. Number of tautomers: 2<\/p>\n<p>6. Topological molecule polar surface area 81.6<\/p>\n<p>7. Number of heavy atoms: 18<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 378<\/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: 1<\/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: 2<\/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     <P class=\"MsoNormal\"><SPAN>This product should be sealed, dry and protected from light.  <\/SPAN><SPAN><\/SPAN><\/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     <P class=\"MsoNormal\"><SPAN>Biochemical research.  Forensic Chemistry.  Medicines (anticonvulsants, sedatives, hypnotics).  <\/SPAN><SPAN><\/SPAN><\/P>\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/trimethylhydroxyethyl-bisaminoethyl-ether-jeffcat-zf-10\/\">https:\/\/www.cyclohexylamine.net\/trimethylhydroxyethyl-bisaminoethyl-ether-jeffcat-zf-10\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44818\">https:\/\/www.newtopchem.com\/archives\/44818<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dimethylbis1-oxoneodecyloxystannane\/\">https:\/\/www.bdmaee.net\/dimethylbis1-oxoneodecyloxystannane\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/pc-cat-tka30-catalyst-nitro\/\">https:\/\/www.bdmaee.net\/pc-cat-tka30-catalyst-nitro\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/niax-potassium-octoate-lv-catalyst-momentive\/\">https:\/\/www.bdmaee.net\/niax-potassium-octoate-lv-catalyst-momentive\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/n-methylmorpholine\/\">https:\/\/www.bdmaee.net\/n-methylmorpholine\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/42992\">https:\/\/www.newtopchem.com\/archives\/42992<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/823\">https:\/\/www.newtopchem.com\/archives\/823<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/n-dimethylaminopropyl-diisopropanolamine-cas-63469-23-8-pc-cat-np10\/\">https:\/\/www.bdmaee.net\/n-dimethylaminopropyl-diisopropanolamine-cas-63469-23-8-pc-cat-np10\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/category\/products\/rigid-foams-catalyst\">https:\/\/www.newtopchem.com\/archives\/category\/products\/rigid-foams-catalyst<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 018J Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49416,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15464],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49417"}],"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=49417"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49417\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49416"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49417"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49417"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49417"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}