6998-50-1

Basic information

• Product Name: BENZENE-13C
• Synonyms: BENZENE-13C;BENZENE-13C1;BENZENE-13C, 99 ATOM % 13C
• CAS NO: 6998-50-1
• Molecular Formula: C₆H₆
• Molecular Weight: 79.12
• Product Categories: Alphabetical Listings;B;Stable Isotopes
• Mol File: 6998-50-1.mol
• Article Data: 4

Chemical Properties

• Melting Point: 5.5 °C(lit.)
• Boiling Point: 80 °C(lit.)
• Flash Point: 12 °F
• Appearance: /
• Density: 0.885 g/mL at 25 °C
• Refractive Index: n20/D 1.501(lit.)
• CAS DataBase Reference: BENZENE-13C(CAS DataBase Reference)
• NIST Chemistry Reference: BENZENE-13C(6998-50-1)
• EPA Substance Registry System: BENZENE-13C(6998-50-1)

Safety Data

• Hazard Codes: F,T
• Statements: 45-46-11-36/38-48/23/24/25-65
• Safety Statements: 53-45
• RIDADR: UN 1114 3/PG 2
• WGK Germany: 3
• Hazardous Substances Data: 6998-50-1(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 1641-69-6 [13C]Carbon monoxide 
• 29809-11-8 <1-13C>phenol 
• 25909-68-6 [¹³C]-potassium cyanide 
• 110-56-5 1,4-dichlorobutane 
• 157563-12-7 -1,2-dibromo-1-methylcyclohexane 

Relevant articles and documents

Bifunctional Catalysts for One-Step Conversion of Syngas into Aromatics with Excellent Selectivity and Stability

Syngas (CO/H2) is a key platform for chemical utilization of non-petroleum carbon resources. Among syngas transformation routes, the direct synthesis of aromatics, which are among the most important bulk chemicals, is less successful because of the limited selectivity and poor catalyst stability. We report a successful design of bifunctional catalysts composed of Zn-doped ZrO2 nanoparticles dispersed on zeolite H-ZSM-5 for one-step conversion of syngas to aromatics with high selectivity and stability. Aromatics with 80% selectivity at CO conversion of 20% were achieved, and there was no catalyst deactivation in 1,000 hr. Methanol and dimethyl ether were formed as major intermediates on Zn-doped ZrO2, which were subsequently converted into aromatics on H-ZSM-5 via olefins. We discovered a self-promotion mechanism of CO in the selective formation of aromatics. As well as being a reactant, CO facilitates the removal of hydrogen species formed on H-ZSM-5 in the dehydrogenative aromatization of olefins.

Thermal rearrangement, XXV: The automerization of benzene as a radical-initiated reaction

The thermal isomerization of [1,4-D2]-(3a) and [1,2-13C2]benzene (1a) has been studied in excess hydrogen at 750-850°C with contact time less than 1.2 s and very low partial pressure in a quartz flow system. In both cases, the main isomerization products are the corresponding meta isomers. The data suggest a radical intramolecular interchange of the benzene carbon atoms by 1,2-C shifts. The multistep reaction cascade is initiated by H addition to the benzene ring followed by transannular homoallyl rearrangements involving the intermediate formation of bicyclo[3.1.0]hexenyl and cyclopentadienylmethyl radicals. This pathway constitutes a side reaction competing with the direct stabilization of the cyclohexadienyl radicals formed preferentially at high temperature. VCH Verlagsgesellschaft mbH, 1996.