{"id":49246,"date":"2024-05-27T16:50:38","date_gmt":"2024-05-27T08:50:38","guid":{"rendered":"http:\/\/www.newtopchem.com\/archives\/49246"},"modified":"2024-05-27T16:50:38","modified_gmt":"2024-05-27T08:50:38","slug":"25-dimethyl-1-phenylpyrrole","status":"publish","type":"post","link":"http:\/\/www.newtopchem.com\/archives\/49246","title":{"rendered":"2,5-Dimethyl-1-phenylpyrrole","gt_translate_keys":[{"key":"rendered","format":"text"}]},"content":{"rendered":"

$\"2,5-dimethyl-1-phenylpyrrole$ <\/p>\n

Structural formula<\/p>\n\n\n\n\n\n\n\n
Business number<\/th>\n 01TG<\/td>\n<\/tr>\n
Molecular formula<\/th>\n C12H13N<\/td>\n<\/tr>\n
Molecular weight<\/th>\n 171.24<\/td>\n<\/tr>\n
label<\/th>\n \n
1-phenyl-2,5-dimethylpyrrole,<\/p>\n
2,5-Dimethyl-1-phenyl-1H-pyrrole,<\/p>\n
1-Phenyl-2,5-dimethylpyrrole<\/p>\n<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n
\n
Numbering system<\/a><\/li>\n
Physical property data<\/a><\/li>\n
Toxicological data<\/a><\/li>\n
Ecological data<\/a><\/li>\n
Molecular structure data<\/a><\/li>\n
Computing chemical data<\/a><\/li>\n
\n More <\/span><\/a><\/p>\n
\n
Properties and Stability<\/a><\/li>\n
Storage method<\/a><\/li>\n
Synthesis method<\/a><\/li>\n
Purpose<\/a><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n
Numbering system<\/h2>\n
CAS number:<\/b>83-24-9<\/p>\n
MDL number:<\/b>MFCD00022464<\/p>\n
EINECS number:<\/b>201-461-2<\/p>\n
RTECS number:<\/b>None<\/p>\n
BRN number:<\/b>124370<\/p>\n
PubChem ID:<\/b>None<\/p>\n
Physical property data<\/h2>\n
\n
1. Physical property data<\/SPAN><\/SPAN><\/P>
\n
1. <\/SPAN> <\/SPAN><\/SPAN>Character: Uncertain<\/SPAN><\/SPAN><\/P>
\n
2. <\/SPAN> <\/SPAN><\/SPAN>Density (<\/SPAN>g\/mL,25\/4<\/SPAN>\u2103): Unsure<\/SPAN><\/SPAN><\/P>
\n
3. <\/SPAN><\/SPAN><\/SPAN>Relative vapor density (<\/SPAN>g\/ mL,<\/SPAN>air<\/SPAN>=1 <\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P>
\n
4. <\/SPAN> <\/SPAN><\/SPAN>Melting point (<\/SPAN>\u00baC<\/SPAN>):<\/SPAN>50-51<\/SPAN><\/SPAN><\/P>
\n
5. <\/SPAN> <\/SPAN><\/SPAN>Boiling point (<\/SPAN>\u00baC,<\/SPAN>Normal pressure):<\/SPAN>155-160<\/SPAN><\/P>
\n
6. <\/SPAN> <\/SPAN><\/SPAN>Boiling point (<\/SPAN>\u00baC,5.2kPa<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P>
\n
7. <\/SPAN><\/SPAN><\/SPAN>Refractive index: Uncertain<\/SPAN><\/SPAN><\/P>
\n
8. <\/SPAN> <\/SPAN><\/SPAN>Flash Point (<\/SPAN>\u00baC<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P>
\n
9. <\/SPAN> <\/SPAN><\/SPAN>Specific optical rotation (<\/SPAN>\u00ba<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P>
\n
10. <\/SPAN> <\/SPAN><\/SPAN>Autoignition point or ignition temperature (<\/SPAN>\u00baC<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P>
\n
11. <\/SPAN> <\/SPAN><\/SPAN>Vapor pressure (<\/SPAN>kPa,25\u00baC<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P>
\n
12. <\/SPAN> <\/SPAN><\/SPAN>Saturation vapor pressure (<\/SPAN>kPa,60\u00baC<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P>
\n
13. <\/SPAN> <\/SPAN><\/SPAN>Heat of combustion (<\/SPAN>KJ\/mol<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P>
\n
14. <\/SPAN> <\/SPAN><\/SPAN>Critical temperature (<\/SPAN>\u00baC<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P>
\n
15. <\/SPAN> <\/SPAN><\/SPAN>Critical pressure (<\/SPAN>KPa<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P>
\n
16. <\/SPAN> <\/SPAN><\/SPAN>Oil and water (octanol<\/SPAN>\/<\/SPAN>Log value of the partition coefficient (water): Uncertain<\/SPAN><\/SPAN><\/P>
\n
17. <\/SPAN><\/SPAN><\/SPAN>Explosion limit (<\/SPAN> %,V\/V<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P>
\n
18. <\/SPAN> <\/SPAN><\/SPAN>Lower explosion limit (<\/SPAN>%,V\/V<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P>
\n
19. <\/SPAN><\/SPAN><\/SPAN>Solubility: Uncertain<\/SPAN>. <\/SPAN><\/SPAN> <\/P>\n <\/p>\n
Toxicological data<\/h2>\n
\n None\n <\/p>\n
Ecological data<\/h2>\n
\n None\n <\/p>\n
Molecular structure data<\/h2>\n
\n
5. Molecular property data:<\/SPAN><\/SPAN><\/P>
\n
1. <\/SPAN><\/SPAN><\/SPAN>Molar refractive index: <\/SPAN> 56.33<\/SPAN><\/P>
\n
2. <\/SPAN><\/SPAN><\/SPAN>Molar volume (<\/SPAN>m^{3<\/SUP>\/mol<\/SPAN>\uff09\uff1a<\/SPAN>177.7<\/SPAN><\/P>
\n}
3. <\/SPAN><\/SPAN><\/SPAN>Isotonic specific volume (<\/SPAN>90.2K <\/SPAN>): <\/SPAN>427.1<\/SPAN><\/P>
\n
4. <\/SPAN><\/SPAN><\/SPAN>Surface Tension (<\/SPAN>dyne\/cm<\/SPAN>):<\/SPAN>33.3<\/SPAN><\/P>
\n
5. <\/SPAN><\/SPAN><\/SPAN>Polarizability<\/SPAN>\uff08<\/SPAN>10^{-24<\/SUP>cm^{3<\/SUP><\/SPAN>):<\/SPAN>22.33<\/SPAN><\/P>\n <\/p>\n}}
Compute chemical data<\/h2>\n
1. Reference value for hydrophobic parameter calculation (XlogP): 3.1<\/P><\/p>\n
2. Number of hydrogen bond donors: 0<\/p>\n
3. Number of hydrogen bond acceptors: 0<\/p>\n
4. Number of rotatable chemical bonds: 1<\/p>\n
5. Number of tautomers: none<\/p>\n
6. Topological molecule polar surface area 4.9<\/p>\n
7. Number of heavy atoms: 13<\/p>\n
8. Surface charge: 0<\/p>\n
9. Complexity: 151<\/p>\n
10. Number of isotope atoms: 0<\/p>\n
11. Determine the number of atomic stereocenters: 0<\/p>\n
12. Uncertain number of atomic stereocenters: 0<\/p>\n
13. Determine the number of chemical bond stereocenters: 0 <\/p>\n
14. Number of uncertain chemical bond stereocenters: 0<\/p>\n
15. Number of covalent bond units: 1<\/p>\n<\/p>\n
Properties and stability<\/h2>\n
\n None\n <\/p>\n
Storage method<\/h2>\n
\n None\n <\/p>\n
Synthesis method<\/h2>\n
\n None\n <\/p>\n
Purpose<\/h2>\n
\n None\n <\/p>\n
extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Butyl-tin-triisooctoate-CAS23850-94-4-Butyltin-Tris.pdf<\/a><\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/668<\/a><\/br>extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Efficient-trimerization-catalyst-for-aliphatic-and-alicyclic-isocyanates.pdf<\/a><\/br>extended-reading:https:\/\/www.bdmaee.net\/dibutyl-tin-bis-1-thioglycerol\/<\/a><\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/44794<\/a><\/br>extended-reading:https:\/\/www.bdmaee.net\/dioctyl-tin-oxide-cas870-08-6-fascat-8201-catalyst\/<\/a><\/br>extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Dibutyltin-monooctyl-maleate-CAS25168-21-2-BT-58C.pdf<\/a><\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/1875<\/a><\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/814<\/a><\/br>extended-reading:https:\/\/www.bdmaee.net\/teda-catalyst-triethylene-diamine-tosoh\/<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":"
Structural formula Business number 01TG Molecular formu…<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49245,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[24,15425],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49246"}],"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=49246"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49246\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49245"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49246"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49246"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49246"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}

Business number<\/th>\n	01TG<\/td>\n<\/tr>\n
Molecular formula<\/th>\n	C12H13N<\/td>\n<\/tr>\n
Molecular weight<\/th>\n	171.24<\/td>\n<\/tr>\n
label<\/th>\n	\n 1-phenyl-2,5-dimethylpyrrole,<\/p>\n 2,5-Dimethyl-1-phenyl-1H-pyrrole,<\/p>\n 1-Phenyl-2,5-dimethylpyrrole<\/p>\n<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n \n Numbering system<\/a><\/li>\n Physical property data<\/a><\/li>\n Toxicological data<\/a><\/li>\n Ecological data<\/a><\/li>\n Molecular structure data<\/a><\/li>\n Computing chemical data<\/a><\/li>\n \n More <\/span><\/a><\/p>\n \n Properties and Stability<\/a><\/li>\n Storage method<\/a><\/li>\n Synthesis method<\/a><\/li>\n Purpose<\/a><\/li>\n<\/ul>\n<\/li>\n<\/ul>\n Numbering system<\/h2>\n CAS number:<\/b>83-24-9<\/p>\n MDL number:<\/b>MFCD00022464<\/p>\n EINECS number:<\/b>201-461-2<\/p>\n RTECS number:<\/b>None<\/p>\n BRN number:<\/b>124370<\/p>\n PubChem ID:<\/b>None<\/p>\n Physical property data<\/h2>\n \n 1. Physical property data<\/SPAN><\/SPAN><\/P> \n 1. <\/SPAN> <\/SPAN><\/SPAN>Character: Uncertain<\/SPAN><\/SPAN><\/P> \n 2. <\/SPAN> <\/SPAN><\/SPAN>Density (<\/SPAN>g\/mL,25\/4<\/SPAN>\u2103): Unsure<\/SPAN><\/SPAN><\/P> \n 3. <\/SPAN><\/SPAN><\/SPAN>Relative vapor density (<\/SPAN>g\/ mL,<\/SPAN>air<\/SPAN>=1 <\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P> \n 4. <\/SPAN> <\/SPAN><\/SPAN>Melting point (<\/SPAN>\u00baC<\/SPAN>):<\/SPAN>50-51<\/SPAN><\/SPAN><\/P> \n 5. <\/SPAN> <\/SPAN><\/SPAN>Boiling point (<\/SPAN>\u00baC,<\/SPAN>Normal pressure):<\/SPAN>155-160<\/SPAN><\/P> \n 6. <\/SPAN> <\/SPAN><\/SPAN>Boiling point (<\/SPAN>\u00baC,5.2kPa<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P> \n 7. <\/SPAN><\/SPAN><\/SPAN>Refractive index: Uncertain<\/SPAN><\/SPAN><\/P> \n 8. <\/SPAN> <\/SPAN><\/SPAN>Flash Point (<\/SPAN>\u00baC<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P> \n 9. <\/SPAN> <\/SPAN><\/SPAN>Specific optical rotation (<\/SPAN>\u00ba<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P> \n 10. <\/SPAN> <\/SPAN><\/SPAN>Autoignition point or ignition temperature (<\/SPAN>\u00baC<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P> \n 11. <\/SPAN> <\/SPAN><\/SPAN>Vapor pressure (<\/SPAN>kPa,25\u00baC<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P> \n 12. <\/SPAN> <\/SPAN><\/SPAN>Saturation vapor pressure (<\/SPAN>kPa,60\u00baC<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P> \n 13. <\/SPAN> <\/SPAN><\/SPAN>Heat of combustion (<\/SPAN>KJ\/mol<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P> \n 14. <\/SPAN> <\/SPAN><\/SPAN>Critical temperature (<\/SPAN>\u00baC<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P> \n 15. <\/SPAN> <\/SPAN><\/SPAN>Critical pressure (<\/SPAN>KPa<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P> \n 16. <\/SPAN> <\/SPAN><\/SPAN>Oil and water (octanol<\/SPAN>\/<\/SPAN>Log value of the partition coefficient (water): Uncertain<\/SPAN><\/SPAN><\/P> \n 17. <\/SPAN><\/SPAN><\/SPAN>Explosion limit (<\/SPAN> %,V\/V<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P> \n 18. <\/SPAN> <\/SPAN><\/SPAN>Lower explosion limit (<\/SPAN>%,V\/V<\/SPAN>): Unsure<\/SPAN><\/SPAN><\/P> \n 19. <\/SPAN><\/SPAN><\/SPAN>Solubility: Uncertain<\/SPAN>. <\/SPAN><\/SPAN> <\/P>\n <\/p>\n Toxicological data<\/h2>\n \n None\n <\/p>\n Ecological data<\/h2>\n \n None\n <\/p>\n Molecular structure data<\/h2>\n \n 5. Molecular property data:<\/SPAN><\/SPAN><\/P> \n 1. <\/SPAN><\/SPAN><\/SPAN>Molar refractive index: <\/SPAN> 56.33<\/SPAN><\/P> \n 2. <\/SPAN><\/SPAN><\/SPAN>Molar volume (<\/SPAN>m^{3<\/SUP>\/mol<\/SPAN>\uff09\uff1a<\/SPAN>177.7<\/SPAN><\/P> \n} 3. <\/SPAN><\/SPAN><\/SPAN>Isotonic specific volume (<\/SPAN>90.2K <\/SPAN>): <\/SPAN>427.1<\/SPAN><\/P> \n 4. <\/SPAN><\/SPAN><\/SPAN>Surface Tension (<\/SPAN>dyne\/cm<\/SPAN>):<\/SPAN>33.3<\/SPAN><\/P> \n 5. <\/SPAN><\/SPAN><\/SPAN>Polarizability<\/SPAN>\uff08<\/SPAN>10^{-24<\/SUP>cm^{3<\/SUP><\/SPAN>):<\/SPAN>22.33<\/SPAN><\/P>\n <\/p>\n}} Compute chemical data<\/h2>\n 1. Reference value for hydrophobic parameter calculation (XlogP): 3.1<\/P><\/p>\n 2. Number of hydrogen bond donors: 0<\/p>\n 3. Number of hydrogen bond acceptors: 0<\/p>\n 4. Number of rotatable chemical bonds: 1<\/p>\n 5. Number of tautomers: none<\/p>\n 6. Topological molecule polar surface area 4.9<\/p>\n 7. Number of heavy atoms: 13<\/p>\n 8. Surface charge: 0<\/p>\n 9. Complexity: 151<\/p>\n 10. Number of isotope atoms: 0<\/p>\n 11. Determine the number of atomic stereocenters: 0<\/p>\n 12. Uncertain number of atomic stereocenters: 0<\/p>\n 13. Determine the number of chemical bond stereocenters: 0 <\/p>\n 14. Number of uncertain chemical bond stereocenters: 0<\/p>\n 15. Number of covalent bond units: 1<\/p>\n<\/p>\n Properties and stability<\/h2>\n \n None\n <\/p>\n Storage method<\/h2>\n \n None\n <\/p>\n Synthesis method<\/h2>\n \n None\n <\/p>\n Purpose<\/h2>\n \n None\n <\/p>\n extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Butyl-tin-triisooctoate-CAS23850-94-4-Butyltin-Tris.pdf<\/a><\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/668<\/a><\/br>extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Efficient-trimerization-catalyst-for-aliphatic-and-alicyclic-isocyanates.pdf<\/a><\/br>extended-reading:https:\/\/www.bdmaee.net\/dibutyl-tin-bis-1-thioglycerol\/<\/a><\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/44794<\/a><\/br>extended-reading:https:\/\/www.bdmaee.net\/dioctyl-tin-oxide-cas870-08-6-fascat-8201-catalyst\/<\/a><\/br>extended-reading:https:\/\/www.bdmaee.net\/wp-content\/uploads\/2022\/08\/Dibutyltin-monooctyl-maleate-CAS25168-21-2-BT-58C.pdf<\/a><\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/1875<\/a><\/br>extended-reading:https:\/\/www.newtopchem.com\/archives\/814<\/a><\/br>extended-reading:https:\/\/www.bdmaee.net\/teda-catalyst-triethylene-diamine-tosoh\/<\/a><\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"excerpt":{"rendered":" Structural formula Business number 01TG Molecular formu…<\/p>\n","protected":false,"gt_translate_keys":[{"key":"rendered","format":"html"}]},"author":1,"featured_media":49245,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":[],"categories":[6],"tags":[24,15425],"gt_translate_keys":[{"key":"link","format":"url"}],"_links":{"self":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49246"}],"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=49246"}],"version-history":[{"count":0,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/posts\/49246\/revisions"}],"wp:featuredmedia":[{"embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media\/49245"}],"wp:attachment":[{"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/media?parent=49246"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/categories?post=49246"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.newtopchem.com\/wp-json\/wp\/v2\/tags?post=49246"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}

Numbering system<\/h2>\nCAS number:<\/b>83-24-9<\/p>\nMDL number:<\/b>MFCD00022464<\/p>\nEINECS number:<\/b>201-461-2<\/p>\nRTECS number:<\/b>None<\/p>\nBRN number:<\/b>124370<\/p>\nPubChem ID:<\/b>None<\/p>\n

Toxicological data<\/h2>\n\n None\n <\/p>\n

Ecological data<\/h2>\n\n None\n <\/p>\n

Properties and stability<\/h2>\n\n None\n <\/p>\n

Storage method<\/h2>\n\n None\n <\/p>\n

Synthesis method<\/h2>\n\n None\n <\/p>\n

Numbering system<\/h2>\n
CAS number:<\/b>83-24-9<\/p>\n
MDL number:<\/b>MFCD00022464<\/p>\n
EINECS number:<\/b>201-461-2<\/p>\n
RTECS number:<\/b>None<\/p>\n
BRN number:<\/b>124370<\/p>\n
PubChem ID:<\/b>None<\/p>\n

Toxicological data<\/h2>\n
\n None\n <\/p>\n

Ecological data<\/h2>\n
\n None\n <\/p>\n

Properties and stability<\/h2>\n
\n None\n <\/p>\n

Storage method<\/h2>\n
\n None\n <\/p>\n

Synthesis method<\/h2>\n
\n None\n <\/p>\n