{"id":49522,"date":"2024-06-03T10:19:34","date_gmt":"2024-06-03T02:19:34","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/49522"},"modified":"2024-06-03T10:19:34","modified_gmt":"2024-06-03T02:19:34","slug":"7-hydroxycoumarin","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/49522","title":{"rendered":"7-Hydroxycoumarin","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-49521\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/06\/5cfba14386464b68b81900da9bba631f.gif\" width=\"233\" height=\"92\" alt=\"7-hydroxycoumarin 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>0265<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C9H6O3<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>162.14<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         7-hydroxy-2H-1-benzopyran-2-one,<\/p>\n<p>                         7-Hydroxy-2H-1-benzopyran-2-one,<\/p>\n<p>                         Butylidene-4,5-dihydro-3H-isobenzofuran-1-one<\/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>93-35-6<\/p>\n<p><b>MDL number:<\/b>MFCD00006878<\/p>\n<p><b>EINECS number:<\/b>202-240-3<\/p>\n<p><b>RTECS number:<\/b>GN6820000<\/p>\n<p><b>BRN number:<\/b>127683<\/p>\n<p><b>PubChem number:<\/b>24889947<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p>\n     <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN> <\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>1.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Characteristics: white needle-like crystals.  It smells of coumarin when heated.  Can be sublimated.  <\/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><\/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>225  -228<\/SPAN><SPAN>\u2103\uff08<\/SPAN><SPAN>230  -232<\/SPAN><SPAN>\u2103).  <\/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><\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>6.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Boiling point (<\/SPAN><SPAN>\u00baC,0.4kPa<\/SPAN><SPAN>):<\/SPAN><SPAN> <\/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>): <\/SPAN><SPAN> <\/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>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>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>Log value of the partition coefficient (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>Lower explosion 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 approximately<\/SPAN><SPAN>100ml<\/SPAN><SPAN>Boiling water, easily soluble in ethanol, chloroform, acetic acid, soluble in dilute alkali, slightly soluble in ether.  The solution shows blue fluorescence.  <\/SPAN><SPAN><\/SPAN>  <\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"> <\/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     <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN><SPAN>1. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Molar refractive index:<\/SPAN><SPAN>41.64<\/SPAN><\/SPAN>  <\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN><SPAN>2. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Molar volume (<\/SPAN><SPAN>m<SUP>3<\/SUP>\/mol<\/SPAN><SPAN>):<\/SPAN><SPAN>115.5<\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN><SPAN>3. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Isotonic specific volume (<\/SPAN><SPAN>90.2K<\/SPAN><SPAN>):<\/SPAN><SPAN>320.8<\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN><SPAN>4. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Surface tension (<\/SPAN><SPAN>dyne\/cm<\/SPAN><SPAN>):<\/SPAN><SPAN>59.4<\/SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN><SPAN>5. <SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Polarizability<\/SPAN><SPAN>(<\/SPAN><SPAN>10<SUP>-24<\/SUP>cm<SUP>3<\/SUP><\/SPAN><SPAN>\uff09\uff1a<\/SPAN><SPAN>16.51<\/SPAN><\/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: 1<\/p>\n<p>3. Number of hydrogen bond acceptors: 3<\/p>\n<p>4. Number of rotatable chemical bonds: 0<\/p>\n<p>5. Number of tautomers: 5<\/p>\n<p>6. ExtensionThe polar surface area of \u200b\u200bthe molecule is 46.5<\/p>\n<p>7. Number of heavy atoms: 12<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 222<\/p>\n<p>10. Number of isotope atoms: 0<\/p>\n<p>11. Number of determined atomic stereocenters: 0<\/p>\n<p>12. Number of uncertain atomic stereocenters: 0<\/p>\n<p>13. Determine the number of stereocenters of chemical bonds: 0<\/p>\n<p>14. Uncertain number of stereocenters of chemical bonds: 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     <P class=\"MsoNormal\" align=\"left\"><SPAN>This product should be stored in a sealed, cool and dry place.  <\/SPAN><SPAN><\/SPAN><\/P>\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     <SPAN>By<\/SPAN><SPAN>2<\/SPAN><SPAN>,<\/SPAN><SPAN>4-<\/SPAN><SPAN>Dihydroxyacetophenone and malic acid in the presence of sulfuric acid<\/SPAN><SPAN>90-130<\/SPAN><SPAN>\u2103  Condensation removes the acetyl group to obtain umbelliferone.  <\/SPAN>\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p>\n     <P class=\"MsoNormal\"><SPAN>Used as fluorescent indicator and acid-base indicator (<\/SPAN><SPAN>pH<\/SPAN><SPAN>for<\/SPAN><SPAN>6.5-8.0<\/SPAN><SPAN>).  <\/SPAN><SPAN><\/SPAN><\/P>\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dioctyltin-oxide-2\/\">https:\/\/www.bdmaee.net\/dioctyltin-oxide-2\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/nn-dimethylpropylamine\/\">https:\/\/www.bdmaee.net\/nn-dimethylpropylamine\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/category\/products\/adhesive-catalyst\">https:\/\/www.newtopchem.com\/archives\/category\/products\/adhesive-catalyst<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1750\">https:\/\/www.newtopchem.com\/archives\/1750<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Tributyltin-chloride-CAS1461-22-9-tri-n-butyltin-chloride.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Tributyltin-chloride-CAS1461-22-9-tri-n-butyltin-chloride.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/lupragen-n205\/\">https:\/\/www.bdmaee.net\/lupragen-n205\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/dabco-blx-11-polyurethane-foaming-catalyst\/\">https:\/\/www.cyclohexylamine.net\/dabco-blx-11-polyurethane-foaming-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1902\">https:\/\/www.newtopchem.com\/archives\/1902<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/957\">https:\/\/www.newtopchem.com\/archives\/957<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2021\/05\/2-2.jpg\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2021\/05\/2-2.jpg<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 0265 Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49521,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15499],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49522"}],"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=49522"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49522\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49521"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49522"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49522"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49522"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}