{"id":47925,"date":"2024-04-24T14:03:26","date_gmt":"2024-04-24T06:03:26","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/47925"},"modified":"2024-04-24T14:03:26","modified_gmt":"2024-04-24T06:03:26","slug":"55-dithio-bisnitrobenzoic-acid","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/47925","title":{"rendered":"5,5&#8242;-dithio-bis(nitrobenzoic acid)","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-47924\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/04\/a8d154d7a4f545f08a4b2169e8fd0e71.gif\" width=\"253\" height=\"143\" alt=\"5,5'-dithio-bis(nitrobenzoic acid) 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>01FT<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C14H8N2O8S2<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>396.35<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         5,5&#8217;dithiobis(2-nitrobenzoic acid),<\/p>\n<p>                         6,6&#8242;-dinitro-3,3&#8242;-dithiobenzoic acid,<\/p>\n<p>                         3-Carboxy-4-nitrophenyl disulfide,<\/p>\n<p>                         6,6\u2032-Dinitro-3,3\u2032-dithiodibenzoic acid,<\/p>\n<p>                         Bis(3-carboxy-4-nitrophenyl)disulfide,<\/p>\n<p>                         DTNB,<\/p>\n<p>                         Ellman\u2019s Reagent,<\/p>\n<p>                         [-SC6H3(NO2)CO2H]2,<\/p>\n<p>                         Enzymes\u00b7Proteins\u00b7Peptides<\/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>69-78-3<\/p>\n<p><b>MDL number:<\/b>MFCD00007140<\/p>\n<p><b>EINECS number:<\/b>200-714-4<\/p>\n<p><b>RTECS number:<\/b>DG9650000<\/p>\n<p><b>BRN number:<\/b>1896821<\/p>\n<p><b>PubChem number:<\/b>24894189<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p>\n     <SPAN><SPAN>1.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Character:<\/SPAN><SPAN>Off-white or yellow powder.  <\/SPAN><br \/>\n <SPAN><\/SPAN><SPAN><SPAN>2.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Density (<\/SPAN><SPAN>g\/mL,25\/4<\/SPAN><SPAN>\u2103<\/SPAN><SPAN>): Unsure<\/SPAN><SPAN><\/SPAN><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>): Unsure<\/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>240-245 (dec.)(lit.)<\/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): Uncertain<\/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>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>7.<SPAN> <\/SPAN><\/SPAN><\/SPAN><SPAN>Refractive index:<\/SPAN><SPAN>Not sure<\/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>): Unsure<\/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>): Unsure<\/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>): Unsure<\/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>): Unsure<\/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>): Unsure<\/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>): Unsure<\/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>): Unsure<\/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>): Unsure<\/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 water) partition coefficient: Uncertain<\/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>): Unsure<\/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>): Unsure<\/SPAN><SPAN><\/SPAN><\/P><br \/>\n <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN>19.<SPAN> <\/SPAN>  <\/SPAN><\/SPAN><SPAN>Solubility:<\/SPAN><SPAN class=\"productmediumclass\"><SPAN> Slightly soluble in acetic acid and water  .  <\/SPAN><\/SPAN><\/P>\n     <\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p>\n     <SPAN>Acute toxicity: mouse abdominal <SPAN>LD50<\/SPAN>: <SPAN>2080 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     None\n     <\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Reference value for hydrophobic parameter calculation (XlogP): 2.7<\/P><\/p>\n<p>2. Number of hydrogen bond donors: 2<\/p>\n<p>3. Number of hydrogen bond acceptors: 10<\/p>\n<p>4. Number of rotatable chemical bonds: 5<\/p>\n<p>5. Number of tautomers: none<\/p>\n<p>6. Topological molecule polar surface area 217<\/p>\n<p>7. Number of heavy atoms: 26<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 528<\/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     <P class=\"MsoNormal\" align=\"left\"><SPAN><SPAN> <\/SPAN><\/SPAN><SPAN>This product should be sealed and stored in a cool, dry place.  <\/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\" align=\"left\"><SPAN>For biochemical research. Determination of thiol groups.  Monitoring of organophosphorus pesticide poisoning (cholinesterase assay) <\/SPAN><SPAN>\u00a0<\/SPAN><\/P>\n     <\/p>\n<p>     extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/77.jpg<\/br>extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/35.jpg<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/799<\/br>extended-reading:https:\/\/www.bdmaee.net\/pentamethyldiethylenetriamine-3\/<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/1039<\/br>extended-reading:https:\/\/www.bdmaee.net\/dabco-bl-17-niax-a-107-jeffcat-zf-54\/<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/43910<\/br>extended-reading:https:\/\/www.cyclohexylamine.net\/cas111-41-1\/<\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/43972<\/br>extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2020\/07\/90-1.jpg<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 01FT Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":47924,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[1312,15057],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/47925"}],"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=47925"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/47925\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/47924"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=47925"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=47925"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=47925"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}