109432-78-2

Basic information

• Product Name: <13C2>-ortho-benzene
• Synonyms: <13C2>-ortho-benzene
• CAS NO: 109432-78-2
• Molecular Weight: 80.0916
• Mol File: 109432-78-2.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: <13C2>-ortho-benzene(CAS DataBase Reference)
• NIST Chemistry Reference: <13C2>-ortho-benzene(109432-78-2)
• EPA Substance Registry System: <13C2>-ortho-benzene(109432-78-2)

Safety Data

• Hazardous Substances Data: 109432-78-2(Hazardous Substances Data)

Upstream product

• 25909-68-6 [¹³C]-potassium cyanide 
• 110-56-5 1,4-dichlorobutane 
• 157563-12-7 -1,2-dibromo-1-methylcyclohexane 

Relevant articles and documents

Automerization of Benzene

It has been demonstrated that the atoms of benzene interchange positions intramolecularly (but not intermolecularly) at high temperatures in a quartz flow system.Thermolysis of benzene-o-13C2 at 1110 deg C with a 2.0-s contact time gave ortho,

The Thermal Aromatization of Methyl-1,3-cyclohexadienes - An Important Argument against Commonly Accepted Sigmatropic 1,7-H-Shift Reactions

It has been demonstrated that the methyl and ring C-atoms of methyl-1,3-cyclohexadienes interchange their positions intramolecularly during the thermal conversion to toluene at temperatures above 600 deg C in a quartz flow system.Gas phase pyrolysis of double 13C-labeled methyl-1,3-cyclohexadienes with 13C-labels for the primary and the tertiary C-atom gave definite 13C-distribution patterns in the aromatic ring systems of the formed toluene as well as benzene with far-reaching similarities.The NMR data of the toluene isotopomers definitely rule out that the observed integration of the methyl C-atom into the ring system proceeds via the hitherto well-established sequence: electrocyclic ring opening of the 5-methyl-1,3-cyclohexadiene to 1,3,5-heptatriene, its sigmatropic 1,7-H shift and ensuing recyclization of the 1,3,5-heptatriene to methyl-1,3-cyclohexadienes.