{"id":49587,"date":"2024-06-07T16:18:34","date_gmt":"2024-06-07T08:18:34","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/49587"},"modified":"2024-06-07T16:18:34","modified_gmt":"2024-06-07T08:18:34","slug":"bromochloroform","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/49587","title":{"rendered":"Bromochloroform","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-49586\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/06\/c8ce0dbc02094ca7b37f029d69221f5c.gif\" width=\"132\" height=\"128\" alt=\"Structural formula of bromochloroform\" \/><\/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>01JW<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>BrCCl3<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>198.27<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         Trichloromethyl bromide,<\/p>\n<p>                         Trichlorobromomethane,<\/p>\n<p>                         Bromochloroform,<\/p>\n<p>                         Bromochloroform,<\/p>\n<p>                         Bromochloroform,<\/p>\n<p>                         Bromochloroform,<\/p>\n<p>                         Carbon bromotrichloride,<\/p>\n<p>                         Carbon trichlorobromide,<\/p>\n<p>                         Monobromotrichloromethane,<\/p>\n<p>                         Photobromination reagent<\/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>75-62-7<\/p>\n<p><b>MDL number:<\/b>MFCD00000783<\/p>\n<p><b>EINECS number:<\/b>200-886-0<\/p>\n<p><b>RTECS number:<\/b>PA5400000<\/p>\n<p><b>BRN number:<\/b>1732543<\/p>\n<p><b>PubChem number:<\/b>24892061<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: Colorless, clear and heavy liquid.  Chloroform-like odor.  Sensitive to light.  <\/p>\n<p>2. Density (g\/mL, 25\/4\u2103): 1.9981<\/p>\n<p>3. Relative density (20\u2103, 4\u2103): 2.0122<\/p>\n<p>4  . Melting point (\u00baC): -5.6<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): 104.7<\/p>\n<p>6. Refractive index at room temperature (n<sup>20<\/sup>):  1.5063<\/p>\n<p>7. Refractive index: 1.5051<\/p>\n<p>8. Liquid phase standard hot melt (J\u00b7mol<sup>-1<\/sup>\u00b7K<sup>-1<\/sup>): 130.7<\/p>\n<p>9. Gas phase standard claimed heat (enthalpy) (kJ\u00b7mol<sup>-1<\/sup>): -38.9<\/p>\n<p>10. Gas phase standard entropy  (J\u00b7mol<sup>-1<\/sup>\u00b7K<sup>-1<\/sup>): 333.03<\/p>\n<p>11. Gas phase standard free energy of formation (kJ\u00b7mol<sup>-1  <\/sup>): -14.0<\/p>\n<p>12. Gas phase standard hot melt (J\u00b7mol<sup>-1<\/sup>\u00b7K<sup>-1<\/sup>): 85.31<\/sup>  p&gt;<\/p>\n<p>13. Heat of combustion (KJ\/mol): Undetermined<\/p>\n<p>14. Critical temperature (\u00baC): Undetermined<\/p>\n<p>15. Critical pressure (KPa): Undetermined  Determined<\/p>\n<p>16. Log value of oil-water (octanol\/water) partition coefficient: Undetermined<\/p>\n<p>17. Explosion upper limit (%, V\/V): Undetermined<\/p>\n<p>18. Lower explosion limit (%, V\/V): Undetermined<\/p>\n<p>19. Solubility: Miscible with most organic solvents.  <\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p><p>Rat caliber LD50: 100mg\/kg<\/p>\n<p>Rat abdominal cavity LD50: 119mg\/kg<\/p>\n<p>2. Teratogenicity<\/p>\n<p>Salmonella: 10ug\/plate<\/p>\n<p>Hamster lung: 50 umol\/L<\/p>\n<p>Mammal: 1m mol\/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: 28.92<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 92.4<\/p>\n<p>  3. Isotonic specific volume (90.2K): 234.4<\/p>\n<p>4. Surface tension (dyne\/cm): 41.4<\/p>\n<p>5. Polarizability (10<sup>-24<\/sup>cm<sup>3<\/sup>): 11.46<\/p>\n<\/p>\n<h2 id=\"js\">Compute chemical data<\/h2>\n<p><p>1. Reference value for hydrophobic parameter calculation (XlogP): 2.9<\/P><\/p>\n<p>2. Number of hydrogen bond donors: 0<\/p>\n<p>3. Number of hydrogen bond acceptors: 0<\/p>\n<p>4. Number of rotatable chemical bonds: 0<\/p>\n<p>5. Number of tautomers: none<\/p>\n<p>6. Topological molecule polar surface area 0<\/p>\n<p>7. Number of heavy atoms: 5<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 28.4<\/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     <span style=\"font-family:Arial\">1. Can cause liver poisoning in humans.  <\/span>\n     <\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p><p>This product should be sealed and stored away from light.  <\/p>\n<\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p><p>1. Reflux anhydrous aluminum tribromide and dry carbon tetrachloride together to obtain bromotrichloromethane (yield 51.4%), with dibromodichloromethane as a by-product.  <\/p>\n<p>2. Preparation method: <\/p>\n<p>  p&gt;<\/p>\n<p>In a reaction bottle equipped with a stirrer and a reflux condenser, add 168.5g of anhydrous aluminum bromide and 940 carbon tetrachloride.  Heat to reflux with stirring for 45 minutes.  After cooling, filter.  The filtrate was washed with 5% sodium carbonate solution and then washed twice with water.  Anhydrous calcium chloride drying.  Fractional distillation, first evaporate about 480 mL of carbon tetrachloride, and then obtain about 8 g of dibromodichloromethane. Finally, collect 102-106\u00b0C to obtain 193 g of compound (1), with a yield of 51.4%.  <sup>[1]<\/sup><\/p>\n<\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>1. Used in organic synthesis.  Pesticide preparation.  <\/p>\n<p>2.<span style=\"font-family:Arial\">As a solvent for Hunsdiecker reaction.  Reagents that react with butyl files to produce dichlorocarbene and photobromination reagents.  The aryl methyl group is olfactory and the methoxy group and chlorine group on the aromatic ring are not affected.  <\/span><\/p>\n<\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Bismuth-Isooctanoate-CAS67874-71-9-2-ethylhexanoic-acid-bismuth.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Bismuth-Isooctanoate-CAS67874-71-9-2-ethylhexanoic-acid-bismuth.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/tegoamin-41-catalyst-cas100-47-9-degussa-ag\/\">https:\/\/www.bdmaee.net\/tegoamin-41-catalyst-cas100-47-9-degussa-ag\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.morpholine.org\/high-quality-cas-26761-42-2-potassium-neodecanoate\/\">https:\/\/www.morpholine.org\/high-quality-cas-26761-42-2-potassium-neodecanoate\/<\/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><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/fentacat-5-catalyst-cas135470-94-3-solvay\/\">https:\/\/www.bdmaee.net\/fentacat-5-catalyst-cas135470-94-3-solvay\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1774\">https:\/\/www.newtopchem.com\/archives\/1774<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1145\">https:\/\/www.newtopchem.com\/archives\/1145<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/methyltin-maleate\/\">https:\/\/www.bdmaee.net\/methyltin-maleate\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/new-generation-sponge-hardener\/\">https:\/\/www.bdmaee.net\/new-generation-sponge-hardener\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44377\">https:\/\/www.newtopchem.com\/archives\/44377<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 01JW Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49586,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15505],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49587"}],"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=49587"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49587\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49586"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49587"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49587"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49587"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}