19387-83-8

Basic information

• Product Name: 4-Tert-butyl-2,6-dimethylbenzylchloroide
• Synonyms: 2-(chloromethyl)-5-(1,1-dimethylethyl)-1,3-dimethyl-benzen;4-Tert-butyl-2,6-dimethylbenzylchloroide;2-(chloromethyl)-5-(1,1-dimethylethyl)-m-xylene;2-(CHLOROMETHYL)-5-(1,1-DIMETHYLETHYL)-1,3-DIMETHYLBENZENE;Benzene, 2-(chloromethyl)-5-(1,1-dimethylethyl)-1,3-dimethyl-;Einecs 243-013-9;1-tert-Butyl-4-(chloromethyl)-3,5-dimethylbenzene;Xylometazoline hydrochloride impurity E
• CAS NO: 19387-83-8
• Molecular Formula: C₁₃H₁₉Cl
• Molecular Weight: 210.74296
• EINECS: 243-013-9
• Mol File: 19387-83-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 95-97℃ (3 Torr)
• Flash Point: 116.8°C
• Appearance: /
• Density: 0.973g/cm³
• Vapor Pressure: 0.00888mmHg at 25°C
• Refractive Index: 1.503
• CAS DataBase Reference: 4-Tert-butyl-2,6-dimethylbenzylchloroide(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Tert-butyl-2,6-dimethylbenzylchloroide(19387-83-8)
• EPA Substance Registry System: 4-Tert-butyl-2,6-dimethylbenzylchloroide(19387-83-8)

Safety Data

• Hazardous Substances Data: 19387-83-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C13H19Cl/c1-9-6-11(13(3,4)5)7-10(2)12(9)8-14/h6-7H,8H2,1-5H3

Upstream product

• 50-00-0 formaldehyd 
• 98-19-1 5-tert-Butyl-m-xylene 
• 108-38-3 m-xylene 
• 38870-89-2 Methoxyacetyl chloride 
• 107-30-2 chloromethyl methyl ether 

Downstream Products

• 68717-03-3 5-tert-Butyl-1,2,3-trimethyl-4-nitrobenzol 
• 68717-06-6 5-tert-Butyl-1,2-dimethyl-3-nitromethyl-benzene 
• 68717-02-2 5-tert-Butyl-2,3-dimethylbenzylnitrit 
• 5182-64-9 1-tert-butyl-2-iodo-3,4,5-trimethylbenzene 
• 96673-24-4 [3-(4-tert-Butyl-2,6-dimethyl-phenyl)-1-methyl-propyl]-methyl-(1-methyl-3,3-diphenyl-propyl)-amine 
• 805947-88-0 [3-(4-tert-Butyl-2,6-dimethyl-phenyl)-1-methyl-propyl]-(1-methyl-3,3-diphenyl-propyl)-amine 
• 726691-41-4 [3-(4-tert-Butyl-2,6-dimethyl-phenyl)-1-methyl-propyl]-(3,3-diphenyl-propyl)-amine 
• 107342-58-5 acetic acid-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-benzyl ester) 
• 99758-50-6 4-tert-butyl-2,6-dimethyl-3,5-dinitro-benzaldehyde 
• 19724-01-7 4-tert-butyl-2,6-dimethyl-3,5-dinitro-benzyl alcohol 
• 854846-87-0 (4-tert-butyl-2,6-dimethyl-benzyl)-malonic acid 
• 854646-92-7 (4-tert-butyl-2,6-dimethyl-phenyl)-acetic acid 
• 50849-03-1 2,6-dimethyl-5-tert-butylbenzyl alcohol 
• 78919-88-7 ethyl-(4-tert-butyl-2,6-dimethyl-benzyl)-ether 

Relevant articles and documents

Preparation, 13C NMR/DFT/IGLO study of benzylic mono- and dications, and attempted preparation of a trication

Substituted benzylic mono- and dications were prepared and investigated by 1H and 13C NMR spectroscopy and DFT/IGLO calculations. Combined experimental and theoretical study suggest that the structure 1a is the major resonance contributor to the 2,4,6-trimethylbenzyl cation 1. Similar results were also found for the 2,4,6-dimethyl-4-tert-butylbenzyl 2 and 2,3,4,5,6- pentamethylbenzyl cation 3. It was found that the structure 4a is the predominant resonance contributor to the overall structure of 2,6- dimethylmesityldiyl dication 4 wherein the dienyl and allylic cation units are insulated from each other. Similar studies indicate structure 5a as the predominant canonical structure for 5-methoxy-2,6-dimethyl-m-xylyldiyl dication 5 wherein the dienyl and oxoallylic cation units are insulated from each other. Attempts to generate the 2,3,5,6-tetramethyl-1,4- dimethylbenzenediyl dication 8 was, however, not successful as were the generation of the 2,4,6-trimethylmesityltriyl trication 10 by ionization of 2,4,6-bis(chloromethyl)-mesitylene. The resulting ion was characterized as a chloromethyl substituted dication 9.