Benzene-13C6

Base Information

• Chemical Name: Benzene-13C6
• CAS No.: 32488-44-1
• Molecular Formula: ¹³C6H6
• Molecular Weight: 84.0476
• European Community (EC) Number: 685-232-6
• DSSTox Substance ID: DTXSID40954230
• Nikkaji Number: J1.171.212F
• Mol file: 32488-44-1.mol

Synonyms:Benzene-13C6;32488-44-1;BENZENE (13C6);(1,2,3,4,5,6-13C6)cyclohexatriene;(~13~C_6_)Benzene;BENZENE(13C6);DTXSID40954230;MFCD00083904;Benzene-13C6, 99 atom % 13C;AKOS015889173

Chemical Property of Benzene-13C6

Chemical Property:

• Melting Point: 5.5 °C
• Refractive Index: n20/D 1.501(lit.)
• Boiling Point: 80 °C
• Flash Point: 12 °F
• PSA: 0.00000
• Density: 0.940 g/mL at 25 °C
• LogP: 1.68660
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 84.06707920
• Heavy Atom Count: 6
• Complexity: 15.5

Purity/Quality:

99%, ^*data from raw suppliers

Benzene-13C6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,F
• Hazard Codes: F,T
• Statements: 45-46-11-36/38-48/23/24/25-65
• Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=CC=C1
• Isomeric SMILES: [13CH]1=[13CH][13CH]=[13CH][13CH]=[13CH]1

Technology Process of Benzene-13C6

There total 3 articles about Benzene-13C6 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methane (34557-54-5,27936-85-2) + [13C]Carbon monoxide (1641-69-6) → U-(13)C-naphthalene (219526-41-7,287399-39-7) + ethane-13C2 (52026-74-1) + benzene-(13)C6 (32488-44-1)

Guidance literature:

With Zn/HZSM-5; at 499.84 ℃; for 1h; under 7500.75 Torr; Temperature; Time; Catalytic behavior;

DOI:10.1039/d0cy01983f

Reference yield:

anisole-1,2,3,4,5,6-13C6 (152571-52-3,154492-88-3) → U-(13)C-naphthalene (219526-41-7,287399-39-7) + benzene-(13)C6 (32488-44-1) + [1,2,3,4,5,6-13C6]toluene (287399-35-3)

Guidance literature:

With ZSM-5 zeolite catalyst powder (CBV 2314); In neat (no solvent, gas phase); at 600 ℃; Mechanism;

DOI:10.1039/c5gc02548f

Reference yield:

(13)C2-acetylene (35121-31-4) → benzene-(13)C6 (32488-44-1)

Guidance literature:

aluminum oxide; chromium;

DOI:10.1246/cl.1992.2001

upstream raw materials:

⁽¹³⁾C₂-acetylene

anisole-1,2,3,4,5,6-¹³C₆

methane

[13C]Carbon monoxide

Downstream raw materials:

phenacyl bromide-(ring-¹³C₆)

[13C₆]aniline

Refernces

• 1、 Wen, Fuli,Zhang, Jin,Chen, Zhiyang,Zhou, Ziqiao,Liu, Hongchao,Zhu, Wenliang,Liu, Zhongmin. "Coupling conversion of methane with carbon monoxideviacarbonylation over Zn/HZSM-5 catalysts". . p. 1358 - 1364. Retrieved 2021/03/14.