Citric acid-2,4-13C2

Base Information

Chemical Name:Citric acid-2,4-13C2
CAS No.:121633-50-9
Molecular Formula:C₆H₈O₇
Molecular Weight:194.103
Hs Code.:
European Community (EC) Number:693-234-3
DSSTox Substance ID:DTXSID30486651
Wikidata:Q82327938
Mol file:121633-50-9.mol

Synonyms:Citric acid-2,4-13C2;121633-50-9;CITRIC-2,4-13C2 ACID;2-hydroxy(1,3-13C2)propane-1,2,3-tricarboxylic acid;SCHEMBL1331346;DTXSID30486651;HY-W127841;CS-0186010;Citric acid-2,4-13C2, 99 atom % 13C;J-004551

Suppliers and Price of Citric acid-2,4-13C2

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Citric acid-2,4-13C2
25mg
$ 625.00

Sigma-Aldrich
Citric acid-2,4-13C2 99 atom %
100mg
$ 760.00

American Custom Chemicals Corporation
CITRIC ACID-2,4-13C2 95.00%
100MG
$ 1184.86

Total 7 raw suppliers

Chemical Property of Citric acid-2,4-13C2

Chemical Property:

Melting Point:153-159 °C(lit.)
Refractive Index:1.575
PSA：132.13000
Density:1.762g/cm³
LogP:-1.24850
Storage Temp.:Refrigerator, Under inert atmosphere
Solubility.:DMSO (Slightly), Methanol (Slightly)
XLogP3:-1.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:194.03371226
Heavy Atom Count:13
Complexity:227

Purity/Quality:

99% ^*data from raw suppliers

Citric acid-2,4-13C2 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 37/38-41
Safety Statements: 26-36-39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Isomeric SMILES:[13CH2](C(=O)O)C([13CH2]C(=O)O)(C(=O)O)O
Uses Citric acid-2,4-13C2 is an isotopic analog of citric acid (C521000), a component of the Krebs cycle.

Technology Process of Citric acid-2,4-13C2

There total 2 articles about Citric acid-2,4-13C2 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:

: 121633-46-3
dimethyl (2,4-13C₂)-1,3-acetonedicarboxylate

: 121633-50-9
(2,4-13C2)citric acid

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) sodium bisulfite / H₂O / Ambient temperature; 1.) 20 min, 2.) 1 h

2: 13 N HCl / 15 h / Heating

With hydrogenchloride; sodium hydrogensulfite; In water;