{"id":48666,"date":"2024-05-13T17:57:49","date_gmt":"2024-05-13T09:57:49","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/48666"},"modified":"2024-05-13T17:57:49","modified_gmt":"2024-05-13T09:57:49","slug":"5-trifluoromethyluracil","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/48666","title":{"rendered":"5-Trifluoromethyluracil","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-48665\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/05\/0c7c38ff114d4aeabc0a945cd1ddebe6.gif\" width=\"163\" height=\"170\" alt=\"5-Trifluoromethyluracil 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>0169<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C5H3F3N2O2<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>180.08<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         5-(trifluoromethyl)uracil,<\/p>\n<p>                         5-Trifluoromethyluracil<\/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>54-20-6<\/p>\n<p><b>MDL number:<\/b>MFCD00006024<\/p>\n<p><b>EINECS number:<\/b>200-197-5<\/p>\n<p><b>RTECS number:<\/b>YR1750000<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem number:<\/b>24853372<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     <SPAN>1<\/SPAN><SPAN>, acute toxicity: mouse abdominal cavity <SPAN>LD50<\/SPAN>: <SPAN>800 mg\/kg<\/SPAN><\/SPAN>\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     <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>1. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Molar refractive index: <\/SPAN>  <SPAN>29.79<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>2. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Molar volume (<\/SPAN><SPAN>m<SUP>3<\/SUP>\/mol<\/SPAN><SPAN>\uff09\uff1a<\/SPAN><SPAN>115.8<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>3.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Isotonic specific volume<\/SPAN><SPAN>(90.2  K)<\/SPAN><SPAN>\uff1a<\/SPAN><SPAN>275.0<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>4. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Surface Tension<\/SPAN><SPAN>(dyne\/cm)<\/SPAN><SPAN>\uff1a<\/SPAN><SPAN>31.7<\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>5. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Polarizability<\/SPAN><SPAN>(10-24cm<SUP>3<\/SUP>)<\/SPAN><SPAN>\uff1a<\/SPAN><SPAN>11.81<\/SPAN><\/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: 2<\/p>\n<p>3. Number of hydrogen bond acceptors: 5<\/p>\n<p>4. Number of rotatable chemical bonds: 0<\/p>\n<p>5. Number of tautomers: 9<\/p>\n<p>6. Topological molecule polar surface area 58.2<\/p>\n<p>7. Number of heavy atoms: 12<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 268<\/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: 0  <\/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>\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.bdmaee.net\/pc-12\/\">https:\/\/www.bdmaee.net\/pc-12\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/39514\">https:\/\/www.newtopchem.com\/archives\/39514<\/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.morpholine.org\/category\/morpholine\/n-ethylmorpholine\/\">https:\/\/www.morpholine.org\/category\/morpholine\/n-ethylmorpholine\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/polyurethane-catalyst-8154\/\">https:\/\/www.bdmaee.net\/polyurethane-catalyst-8154\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/u-cat-651m-catalyst-cas112-99-5-sanyo-japan\/\">https:\/\/www.bdmaee.net\/u-cat-651m-catalyst-cas112-99-5-sanyo-japan\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/cas-127-08-2\/\">https:\/\/www.bdmaee.net\/cas-127-08-2\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44752\">https:\/\/www.newtopchem.com\/archives\/44752<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/246-trisdimethylaminomethylphenol-cas-90-72-2-dmp-30\/\">https:\/\/www.cyclohexylamine.net\/246-trisdimethylaminomethylphenol-cas-90-72-2-dmp-30\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/bis-2-dimethylaminoethyl-ether-manufacture\/\">https:\/\/www.bdmaee.net\/bis-2-dimethylaminoethyl-ether-manufacture\/<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 0169 Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":48665,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15267],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48666"}],"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=48666"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48666\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/48665"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=48666"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=48666"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=48666"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}