17359-59-0

Basic information

• Product Name: α,2,3,4,5,6-hexadeuteriotoluene
• Synonyms: α,2,3,4,5,6-hexadeuteriotoluene
• CAS NO: 17359-59-0
• Molecular Weight: 98.0929
• Mol File: 17359-59-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: α,2,3,4,5,6-hexadeuteriotoluene(CAS DataBase Reference)
• NIST Chemistry Reference: α,2,3,4,5,6-hexadeuteriotoluene(17359-59-0)
• EPA Substance Registry System: α,2,3,4,5,6-hexadeuteriotoluene(17359-59-0)

Safety Data

• Hazardous Substances Data: 17359-59-0(Hazardous Substances Data)

Upstream product

• 1076-43-3 benzene-d6 
• 71258-22-5 benzyl bromide 

Relevant articles and documents

Mechanism of the reaction of methylene with benzene: A study of kinetic hydrogen isotope effects and theoretical calculations

The reaction mechanism of singlet and triplet methylene with benzene and related aromatic compounds was investigated by kinetic isotope effects (KIEs), solvent effects, and product studies. The results are further rationalized by a series of ab initio calculations at MP2/6-31G*//RHF/6-31G* and UMP2/6-31G*//UHF/6-31G* levels of theory. The proposed 1c intermediate for the triplet reaction was found by means of the calculations, whereas no singlet analog 1 could be found.