Carbon-13C dioxide

Base Information

• Chemical Name: Carbon-13C dioxide
• CAS No.: 1111-72-4
• Molecular Formula: CO2
• Molecular Weight: 44.9988
• DSSTox Substance ID: DTXSID90435908
• Nikkaji Number: J298.922K
• Wikidata: Q82251045
• Mol file: 1111-72-4.mol

Synonyms:Carbon-13C dioxide;1111-72-4;carbon-(13)C dioxide;carbon-13c-dioxide;((13)C)methanedione;((13)C)carbon dioxide;carbon dioxide((13)C);DTXSID90435908;CHEBI:139538;(13)CO2;Carbon-13C dioxide, 10 atom % 13C;Carbon-13C dioxide, 30 atom % 13C;Carbon-13C dioxide, 35 atom % 13C;Carbon-13C dioxide, 50 atom % 13C;Carbon-13C dioxide, 99 atom % 13C, <3 atom % 18O;Carbon-13C dioxide, 99.93 atom % 16O, 99 atom % 13C

Chemical Property of Carbon-13C dioxide

Chemical Property:

• Melting Point: −78 °C (subl.)(lit.)
• PSA: 34.14000
• Density: 1.52 (vs air)
• LogP: -0.58350
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 44.993184074
• Heavy Atom Count: 3
• Complexity: 18.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

Carbon-13C dioxide 99 atom % ^*data from reagent suppliers

Safty Information:

• Safety Statements: 9

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=O)=O
• Isomeric SMILES: [13C](=O)=O

Technology Process of Carbon-13C dioxide

There total 87 articles about Carbon-13C dioxide 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: 63.0%

C8(13)CH12O2 (1260102-76-8) → 1-phenyl-[3-13C]propan-1-one + carbon dioxide (1111-72-4) + acetophenone (98-86-2)

Guidance literature:

Ru(TFA)2(CO)(PPh₃)3; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In ⁽²⁾H₈-toluene; at 175 ℃; for 17h; Product distribution / selectivity; Inert atmosphere;

Reference yield:

nitrogen(II) oxide (10102-43-9) + [13C]Carbon monoxide (1641-69-6) → carbon dioxide (1111-72-4) + nitrogen (7727-37-9) + oxygen (80937-33-3) + dinitrogen monoxide (10024-97-2)

Guidance literature:

In neat (no solvent); Cu-ZSM-5 zeolite in pure or silanized form, 673 K, 5% NO in He, (13)CO-pulse; detected by MS and IR;

DOI:10.1021/jp0125496

Reference yield:

C7(13)CH9NO2*C7H9N → carbon dioxide (1111-72-4) + C7(13)CH9NO2 + benzylamine (100-46-9)

Guidance literature:

In tetrahydrofuran; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1016/S0040-4020(01)92239-2

upstream raw materials:

[α-¹³C]toluene

2,2-dimethyl-5--1,3-dioxane-4,6-dione<4,6-13C2>

¹³C-C₁-glucopyranose

[2-¹³C]-D-glucopyranoside

Downstream raw materials:

1-13C-Valeriansaeure

[1-13C]-acetic acid

ethanol-1-13C

1-(13C)benzoic acid

Refernces

• 1、 Tan, Bingqing,Ye, Yinghao,Huang, Zeai,Ye, Liqun,Ma, Minzhi,Zhou, Ying. "Promotion of photocatalytic steam reforming of methane over Ag0/Ag+-SrTiO3". . p. 1530 - 1534. Retrieved 2020.
• 2、 Lapidus et al.. "". . p. 1575. Retrieved 1966.
• 3、 Saber, John M.,Falconer, John L.,Brown, Lee F.. "Isotope Exchange and the Sodium-catalysed CO2 Gasification of Carbon". . p. 445 - 447. Retrieved 1987.
• 4、 Neary, Michelle C.,Parkin, Gerard. "Nickel-catalyzed release of H2 from formic acid and a new method for the synthesis of zerovalent Ni(PMe3)4". . p. 14645 - 14650. Retrieved 2016.
• 5、 Quan, Jiamei,Kondo, Takahiro,Wang, Guichang,Nakamura, Junji. "Energy Transfer Dynamics of Formate Decomposition on Cu(110)". . p. 3496 - 3500. Retrieved 2017.
• 6、 Perez-Ramirez, Javier,Kondratenko, Evgenii V.,Debbagh, M. Naoufal. "Transient studies on the mechanism of N2O activation and reaction with CO and C3H8 over Fe-silicalite". . p. 442 - 452. Retrieved 2005.
• 7、 Van Voorhees, Seth L.,Wayland, Bradford B.. "Formation of metallo hydride, formyl, and alkyl complexes of Rh(TMTAA)". . p. 204 - 206. Retrieved 1987.
• 8、 Goicoechea, Jose M.,Mahon, Mary F.,Whittlesey, Michael K.,Kumar, P. G. Anil,Pregosin, Paul S.. "Mononuclear and dinuclear complexes with a [Ru(tBu 2PCH2CH2PtBu2)(CO)] core". . p. 588 - 597. Retrieved 2005.
• 9、 Yokomizo, G. H.,Louis, C.,Bell, A. T.. "-". . p. 15 - 21. Retrieved 1989.
• 10、 Allian, Ayman D.,Takanabe, Kazuhiro,Fujdala, Kyle L.,Hao, Xianghong,Truex, Timothy J.,Cai, Juan,Buda, Corneliu,Neurock, Matthew,Iglesia, Enrique. "Chemisorption of CO and mechanism of CO oxidation on supported platinum nanoclusters". . p. 4498 - 4517. Retrieved 2011.