{"id":47893,"date":"2024-04-23T15:12:46","date_gmt":"2024-04-23T07:12:46","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/47893"},"modified":"2024-04-23T15:12:46","modified_gmt":"2024-04-23T07:12:46","slug":"benzoapyrene","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/47893","title":{"rendered":"Benzo(a)pyrene","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"<p><img decoding=\"async\" loading=\"lazy\" class=\"alignnone size-full wp-image-47892\" src=\"http:\/\/www.newtopchem.com\/wp-content\/uploads\/2024\/04\/c55b618bb65c47f189275a96c2f5c5fb-1.gif\" width=\"194\" height=\"161\" alt=\"Benzo(a)pyrene 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>013H<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular formula<\/th>\n<td>C20H12<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">Molecular weight<\/th>\n<td>252.31<\/td>\n<\/tr>\n<tr>\n<th scope=\"row\">label<\/th>\n<td>\n<p>                         Benzo[A]pyrene,<\/p>\n<p>                         Benzo(a)pyrene,<\/p>\n<p>                         3,4-benzopyrene,<\/p>\n<p>                         Benzopyrene,<\/p>\n<p>                         1,2-benzopyrene,<\/p>\n<p>                         Benzopyrene standard,<\/p>\n<p>                         Benzo(A)pyrene (standard sample),<\/p>\n<p>                         3,4-Benzopyrene,<\/p>\n<p>                         Benzo[def]chrysene,<\/p>\n<p>                         1,2-Benzopyrene,<\/p>\n<p>                         Aromatic hydrocarbons<\/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>50-32-8<\/p>\n<p><b>MDL number:<\/b>MFCD00003602<\/p>\n<p><b>EINECS number:<\/b>200-028-5<\/p>\n<p><b>RTECS number:<\/b>DJ3675000<\/p>\n<p><b>BRN number:<\/b>1911333<\/p>\n<p><b>PubChem number:<\/b>24891610<\/p>\n<h2 id=\"wx\">Physical property data<\/h2>\n<p><p>1. Properties: yellow to brown powder.  <\/p>\n<p>2. Density (g\/mL, 25\/4\u2103): 1.286<\/p>\n<p>3. Relative vapor density (g\/mL, air=1): Undetermined<\/p>\n<p>4. Melting point (\u00baC): 177-180<\/p>\n<p>5. Boiling point (\u00baC, normal pressure): 495<\/p>\n<p>6. Boiling point (\u00baC, 5.2 kPa): Undetermined  <\/p>\n<p>7. Refractive index: Undetermined<\/p>\n<p>8. Flash point (\u00baC): 495\u00b0C<\/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 (kPa, 25 \u00baC): 0.665\u00d710-19 kPa<\/p>\n<p>12. Saturated vapor pressure (kPa, 60 \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: Insoluble in water  , slightly soluble in ethanol, methanol, soluble in benzene, toluene, xylene, chloroform, ether, acetone, etc.  <\/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>\n     None\n     <\/p>\n<h2 id=\"fz\">Molecular structure data<\/h2>\n<p><p>1. Molar refractive index: 90.30<\/p>\n<p>2. Molar volume (cm<sup>3<\/sup>\/mol): 196.0<\/p>\n<p>3. Isotonic specific volume (90.2K  ): 553.5<\/p>\n<p>4. Surface tension (dyne\/cm): 63.4<\/p>\n<p>5. Polarizability (10-24cm3): 35.80<\/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: 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: 20<\/p>\n<p>8. Surface charge: 0<\/p>\n<p>9. Complexity: 372<\/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<h2 id=\"zc\">Storage method<\/h2>\n<p><p>Stored in a cool, ventilated warehouse.  Keep away from fire and heat sources.  They should be stored separately from oxidants and food chemicals, 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.  The &#8220;five pairs&#8221; management system for extremely toxic substances should be strictly implemented.  <\/p>\n<\/p>\n<h2 id=\"hc\">Synthesis method<\/h2>\n<p>\n     None\n     <\/p>\n<h2 id=\"yt\">Purpose<\/h2>\n<p><p>1. Histochemical determination of lipids (blue or blue-white fluorescence, fades quickly, cannot be used as a permanent specimen).  Cancer research.  <\/p>\n<p>2. Often used as a pollution indicator substance for carcinogenic polycyclic aromatic hydrocarbons in the environment.  <\/p>\n<p>3. It has no production or use value in industry and is generally only discharged with waste as a by-product formed during the production process.  <\/p>\n<p>4. 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