{"id":48718,"date":"2024-05-14T16:38:53","date_gmt":"2024-05-14T08:38:53","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/48718"},"modified":"2024-05-14T16:38:53","modified_gmt":"2024-05-14T08:38:53","slug":"13-dibromo-2-propanol","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/48718","title":{"rendered":"1,3-dibromo-2-propanol","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-48717\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/05\/ef24138af7514d7ea208bab4799719f1.gif\" width=\"198\" height=\"227\" alt=\"1,3-dibromo-2-propanol 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>02AQ<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C3H6Br2O<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>217.89<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         1,3-dibromoisopropanol,<\/p>\n<p>                         1,3-Dibromo-2-hydroxypropane,<\/p>\n<p>                         1,3-Dibromo-2-hydroxypropane,<\/p>\n<p>                         1,3-Dibromo-isopropylalcohol,<\/p>\n<p>                         Multifunctional solvents,<\/p>\n<p>                         Raw materials for organic synthesis<\/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>96-21-9<\/p>\n<p><b>MDL number:<\/b>MFCD00000216<\/p>\n<p><b>EINECS number:<\/b>202-489-8<\/p>\n<p><b>RTECS number:<\/b>UB0200000<\/p>\n<p><b>BRN number:<\/b>None<\/p>\n<p><b>PubChem number:<\/b>24863033<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: colorless oily liquid with special odor.  <\/p>\n<p>2. Density (g\/mL, 25\/4\u2103): 2.1202<\/p>\n<p>3. Boiling point (\u00baC, normal pressure): 219 (partially decomposed)<\/p>\n<p>4. Boiling point (\u00baC, 5kPa): 124<\/p>\n<p>5. Boiling point (\u00baC, 0.9kPa): 82~83<\/p>\n<p>6. Refractive index (25\u00baC): 1.5495<\/p>\n<p>7. Flash point (\u00baC): 46<\/p>\n<p>8. Solubility: soluble in alcohol and ether, insoluble in water.  <\/p>\n<p>9. Relative density (20\u2103, 4\u2103): 2.1364<\/p>\n<p>10. Refractive index at room temperature (n<sup>20<\/sup>): 1.5531<\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p><p>1. Acute toxicity: Mouse intraperitoneal LD50: 150mg\/kg; <\/p>\n<p>2. Mutagenicity: Microbial Salmonella typhimurium mutation: 100\u03bcmol\/plate;  Cellular DNA inhibition: 1600\u03bcmol\/L;<\/p>\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><p>1. Molar refractive index: 32.90<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 102.3<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 269.8<\/p>\n<p>4. Surface tension (dyne\/cm): 48.4<\/p>\n<p>5. Dielectric constant:<\/p>\n<p>6. Dipole moment (10<sup>-24<\/sup>cm<sup>3<\/sup>):<\/p>\n<p>7. Polarizability: 13.04<\/p>\n<\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Reference value for hydrophobic parameter calculation (XlogP): 1.1<\/P><\/p>\n<p>2. Number of hydrogen bond donors: 1<\/p>\n<p>3. Number of hydrogen bond acceptors: 1<\/p>\n<p>4. Number of rotatable chemical bonds: 2<\/p>\n<p>5. Number of tautomers: none<\/p>\n<p>6. Topological molecule polar surface area 20.2<\/p>\n<p>7. Number of heavy atoms: 6<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 28<\/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 stereocentersNumber of \ufffd 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     Irritating.  It will oxidize and turn yellow if left in the air for a long time.\n     <\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p><p>Obtained from the reaction of glycerol with red phosphorus and bromine.  Mix glycerol and red phosphorus evenly, add bromine dropwise while stirring, and cause an exothermic reaction with a temperature of about 80\u00b0C.  After adding the bromine, leave it overnight and distill under reduced pressure. The distillate is washed twice with 10% sea wave, dried with anhydrous sodium carbonate, filtered off the desiccant and then fractionated. The 110-112\u00b0C (2.66kPa) fraction is collected.  Finished product.  <\/p>\n<\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p>\n     Used as solvent and organic synthesis intermediate.\n     <\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.bdmaee.net\/polycat-15-catalyst-cas68479-98-1-evonik-germany\/\">https:\/\/www.bdmaee.net\/polycat-15-catalyst-cas68479-98-1-evonik-germany\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/859\">https:\/\/www.newtopchem.com\/archives\/859<\/a><\/br>extended-reading:<a href=\"https:\/\/www.morpholine.org\/polyurethane-catalyst-dabco-dc2-strong-gel-catalyst-dabco-dc2\/\">https:\/\/www.morpholine.org\/polyurethane-catalyst-dabco-dc2-strong-gel-catalyst-dabco-dc2\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/2-ethylhexanoic-acid-potassium-cas-3164-85-0-dabco-k-15\/\">https:\/\/www.bdmaee.net\/2-ethylhexanoic-acid-potassium-cas-3164-85-0-dabco-k-15\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1896\">https:\/\/www.newtopchem.com\/archives\/1896<\/a><\/br>extended-reading:<a href=\"https:\/\/www.morpholine.org\/catalyst-pc-41\/\">https:\/\/www.morpholine.org\/catalyst-pc-41\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/39159\">https:\/\/www.newtopchem.com\/archives\/39159<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/tetramethyl-13-diaminopropane\/\">https:\/\/www.bdmaee.net\/tetramethyl-13-diaminopropane\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/39593\">https:\/\/www.newtopchem.com\/archives\/39593<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1081\">https:\/\/www.newtopchem.com\/archives\/1081<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 02AQ Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":48717,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[532,15284],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48718"}],"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=48718"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48718\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/48717"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=48718"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=48718"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=48718"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}