{"id":48508,"date":"2024-05-09T17:09:30","date_gmt":"2024-05-09T09:09:30","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/48508"},"modified":"2024-05-09T17:09:30","modified_gmt":"2024-05-09T09:09:30","slug":"34-dichlorophenol","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/48508","title":{"rendered":"3,4-Dichlorophenol","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-48507\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/05\/f00655f3ba1240b999ed17bac68fd752.gif\" width=\"198\" height=\"227\" alt=\"3,4-dichlorophenol 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>029T<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C6H4Cl2O<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>163.00<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         3,4-dichlorophenol,<\/p>\n<p>                         3,4-Dichlorophenol,<\/p>\n<p>                         3,4-Dichloro-hydroxybenzene,<\/p>\n<p>                         Cl2C6H3OH<\/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>95-77-2<\/p>\n<p><b>MDL number:<\/b>MFCD00002258<\/p>\n<p><b>EINECS number:<\/b>202-450-5<\/p>\n<p><b>RTECS number:<\/b>SK8800000<\/p>\n<p><b>BRN number:<\/b>1907693<\/p>\n<p><b>PubChem number:<\/b>24894075<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: needle-like crystals.  <\/p>\n<p>2. Gas phase standard claims heat (enthalpy) (kJ\u00b7mol<sup>-1<\/sup>): -194.4<\/p>\n<p>3. Relative vapor density (g\/mL,  Air=1): Undetermined<\/p>\n<p>4. Melting point (\u00baC): 68<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): 145-146 <\/p>\n<p>6  . Boiling point (\u00baC, kPa): Not determined<\/p>\n<p>7. Refractive index: Undetermined<\/p>\n<p>8. Flash point (\u00baC): 252-255<\/p>\n<p>9  . Specific rotation (\u00ba): Undetermined<\/p>\n<p>10. Autoignition point or ignition temperature (\u00baC): Undetermined<\/p>\n<p>11. Vapor pressure (mmHg,\u00baC): Undetermined  <\/p>\n<p>12. Saturated vapor pressure (kPa, \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) partition coefficient: Undetermined<\/p>\n<p>17. Explosion upper limit (%, V\/V): Undetermined<\/p>\n<p>18. Explosion lower limit (%, V\/V): Undetermined<\/p>\n<p>19. Solubility  : Soluble in ethanol, ether and benzene.  <\/p>\n<\/p>\n<h2 id=\"dl\">Toxicological data<\/h2>\n<p><p>1. Acute toxicity: mouse oral LD50: 1685mg\/kg;<\/p>\n<\/p>\n<h2 id=\"st\">Ecological data<\/h2>\n<p><p>This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.  <\/p>\n<\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p><p>1. Molar refractive index: 37.92<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 111.7<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 294.0<\/p>\n<p>4. Surface tension (dyne\/cm): 47.8<\/p>\n<p>5. Polarizability (10-24cm3): 15.03<\/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: 1<\/p>\n<p>4. Number of rotatable chemical bonds: 0<\/p>\n<p>5. Number of tautomers: 3<\/p>\n<p>6. Topological molecule polar surface area 20.2<\/p>\n<p>7. Number of heavy atoms: 9<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 97.1<\/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 stereocentersNumber: 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 oxidants, acid anhydrides, and acid chlorides.  <\/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.  Protect from direct sunlight.  The packaging is sealed.  They should be stored separately from oxidants, acid anhydrides and acid chlorides, and avoid mixed storage.  Equipped with the appropriate variety and quantity of fire equipment.  Suitable materials should be available in the storage area to contain spills.\n     <\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     None yet\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>Used as gas chromatography comparison sample and used in organic synthesis.  <\/p>\n<\/p>\n<p>     extended-reading:<a href=\"https:\/\/www.bdmaee.net\/pc-cat-np15-catalyst-cas67151-63-7\/\">https:\/\/www.bdmaee.net\/pc-cat-np15-catalyst-cas67151-63-7\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1814\">https:\/\/www.newtopchem.com\/archives\/1814<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/fascat8201-tertiary-amine-catalyst-arkema-pmc\/\">https:\/\/www.bdmaee.net\/fascat8201-tertiary-amine-catalyst-arkema-pmc\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/pc-cat-np60-hard-foam-catalyst-dimethylbenzylamine-nitro\/\">https:\/\/www.bdmaee.net\/pc-cat-np60-hard-foam-catalyst-dimethylbenzylamine-nitro\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/738\">https:\/\/www.newtopchem.com\/archives\/738<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/dabco-nmm-cas-109-02-4-n-methylmorpholine\/\">https:\/\/www.bdmaee.net\/dabco-nmm-cas-109-02-4-n-methylmorpholine\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/ethylhexanoic-acid-zinc-salt\/\">https:\/\/www.bdmaee.net\/ethylhexanoic-acid-zinc-salt\/<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/185\">https:\/\/www.newtopchem.com\/archives\/185<\/a><\/br>extended-reading:<a href=\"https:\/\/www.newtopchem.com\/archives\/1063\">https:\/\/www.newtopchem.com\/archives\/1063<\/a><\/br>extended-reading:<a href=\"https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/1-3.jpg\">https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/1-3.jpg<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"<p>Structural formula Business number 029T Molecular formu&#8230;<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":48507,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[534,15217],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48508"}],"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=48508"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/48508\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/48507"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=48508"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=48508"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=48508"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}