{"id":49628,"date":"2024-06-07T17:03:42","date_gmt":"2024-06-07T09:03:42","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/49628"},"modified":"2024-06-07T17:03:42","modified_gmt":"2024-06-07T09:03:42","slug":"chloroacetaldehyde-dimethyl-acetal","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/49628","title":{"rendered":"Chloroacetaldehyde dimethyl acetal","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-49627\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/06\/94029909319a4d4f99c7a6c5bd533cdb.gif\" width=\"227\" height=\"227\" alt=\"Chloroacetal dimethyl acetal 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>02CZ<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C4H9ClO2<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>124.57<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         Chloroacetaldehyde dimethylacetal,<\/p>\n<p>                         2-Chloroacetal dimethyl acetal,<\/p>\n<p>                         dimethyl chloride acetal,<\/p>\n<p>                         ClCH2CH(OCH3)2,<\/p>\n<p>                         Methyl chloroacetal,<\/p>\n<p>                         Cadma,<\/p>\n<p>                         Chlorodimethyl acetal,<\/p>\n<p>                         Chloroacetaldehyde dimethyl acetal,<\/p>\n<p>                         Dimethyl chloroacetal,<\/p>\n<p>                         1-Chloro-2,2-dimethoxyethane,<\/p>\n<p>                         1,1-Dimethoxy-2-chloroethane,<\/p>\n<p>                         2-Chloro-1,1-dimethoxyethane<\/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>97-97-2<\/p>\n<p><b>MDL number:<\/b>MFCD00000948<\/p>\n<p><b>EINECS number:<\/b>202-624-0<\/p>\n<p><b>RTECS number:<\/b>None<\/p>\n<p><b>BRN number:<\/b>1733700<\/p>\n<p><b>PubChem number:<\/b>24846856<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: colorless liquid<\/p>\n<p>2. Relative density: 1.094<\/p>\n<p>3. Relative vapor density (g\/mL, air=1): 4.3<\/p>\n<p>4. Melting point (\u00baC): -73<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): 128~130<\/p>\n<p>6. Boiling point (\u00baC, kPa): Undetermined  <\/p>\n<p>7. Refractive index: 1.4150<\/p>\n<p>8. Flash point (\u00baC): 28<\/p>\n<p>9. Specific rotation (\u00ba): Undetermined<\/p>\n<p>10. Autoignition point or ignition temperature (\u00baC): 232.2<\/p>\n<p>11. Vapor pressure (mmHg, 21.1\u00baC): Undetermined<\/p>\n<p>12. Saturated vapor pressure (  kPa, 20\u00baC): Undetermined<\/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<\/p>\n<p>16. Log value of oil-water (octanol\/water) distribution 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 a variety of organic solvents.  <\/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><p>This substance is slightly hazardous to water.  <\/p>\n<\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p><p>1. Molar refractive index: 28.87<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 119.0<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 266.4<\/p>\n<p>4. Surface tension (dyne\/cm): 25.0<\/p>\n<p>5. Polarizability (10-24cm3): 11.44<\/p>\n<\/p>\n<h2 id=\"js\">Calculate chemical numbersAccording to<\/h2>\n<p><p>1. Reference value for hydrophobic parameter calculation (XlogP): 0.7<\/P><\/p>\n<p>2. Number of hydrogen bond donors: 0<\/p>\n<p>3. Number of hydrogen bond acceptors: 2<\/p>\n<p>4. Number of rotatable chemical bonds: 3<\/p>\n<p>5. Number of tautomers: none<\/p>\n<p>6. Topological molecule polar surface area 18.5<\/p>\n<p>7. Number of heavy atoms: 7<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 36.7<\/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><p>Avoid contact with air and light.  Avoid contact with strong oxidants and acids.  <\/p>\n<\/p>\n<h2 id=\"zc\">Storage method<\/h2>\n<p>\n     Store in a cool, ventilated warehouse.  Keep away from fire and heat sources.  The storage temperature should not exceed 30\u2103.  The packaging must be sealed and must not come into contact with air.  They should be stored separately from oxidants and acids, and avoid mixed storage.  Use explosion-proof lighting and ventilation facilities.  It is prohibited to use mechanical equipment and tools that are prone to sparks.  The storage area should be equipped with emergency release equipment and suitable containment materials.\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     It is obtained by condensation and chlorination of acetaldehyde.  Add acetaldehyde to methanol, pass chlorine at 38-40\u00b0C, and react at 40-43\u00b0C for 3 hours after passing chlorine.  Lower the temperature to 25-30\u00b0C, neutralize it with lime to pH 7, let it stand and separate into layers. The upper layer is chloroacetaldehyde dimethyl acetal.\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>Pharmaceutical intermediates.  Used in the synthesis of sulfonamide-5-methoxypyrimidine.  <\/p>\n<\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.bdmaee.net\/foaming-retarder\/\">https:\/\/www.bdmaee.net\/foaming-retarder\/<\/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\/low-odor-catalyst-pt302-dabco-hard-foam-catalyst\/\">https:\/\/www.cyclohexylamine.net\/low-odor-catalyst-pt302-dabco-hard-foam-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/FASCAT2001-catalyst-CAS301-10-0-Stannous-octoate.pdf\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/FASCAT2001-catalyst-CAS301-10-0-Stannous-octoate.pdf<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/butyl-tin-thiolate-10584-98-2-cas-10584-98-2-butyltin-mercaptide\/\">https:\/\/www.bdmaee.net\/butyl-tin-thiolate-10584-98-2-cas-10584-98-2-butyltin-mercaptide\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.cyclohexylamine.net\/teda-l33b-dabco-polycat-gel-catalyst\/\">https:\/\/www.cyclohexylamine.net\/teda-l33b-dabco-polycat-gel-catalyst\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/40394\">https:\/\/www.newtopchem.com\/archives\/40394<\/a><\/br>extended-reading:<a href=\"https:\/\/www.morpholine.org\/category\/morpholine\/page\/5399\/\">https:\/\/www.morpholine.org\/category\/morpholine\/page\/5399\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/40243\">https:\/\/www.newtopchem.com\/archives\/40243<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/44265\">https:\/\/www.newtopchem.com\/archives\/44265<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 02CZ Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49627,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[15516],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49628"}],"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=49628"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49628\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49627"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49628"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49628"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49628"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}