Butanedioic acid-2,3-13C2

Base Information

• Chemical Name: Butanedioic acid-2,3-13C2
• CAS No.: 61128-08-3
• Molecular Formula: C4H6O4
• Molecular Weight: 120.11
• European Community (EC) Number: 687-215-9
• DSSTox Substance ID: DTXSID70514629
• Nikkaji Number: J1.728.625K
• Wikidata: Q82375071
• Mol file: 61128-08-3.mol

Synonyms:Succinic acid-2,3-13C2;61128-08-3;Butanedioic acid-2,3-13C2;(2,3-13C2)butanedioic acid;Succinic acid-13C2;SCHEMBL1331200;DTXSID70514629;HY-N0420S4;(2,3-~13~C_2_)Butanedioic acid;AKOS015913302;CS-0541888;Abundance: 99atom %;Chemical Purity: 98%;Succinic acid-2,3-13C2, 99 atom % 13C

Chemical Property of Butanedioic acid-2,3-13C2

Chemical Property:

• Melting Point: 187-190 °C(lit.)
• Refractive Index: 1.477
• Boiling Point: 235 °C
• PSA: 74.60000
• Density: 1.408g/cm³
• LogP: -0.06420
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 120.03331834
• Heavy Atom Count: 8
• Complexity: 92.6

Purity/Quality:

98%min ^*data from raw suppliers

Succinic acid-2,3-13C2 99 atom % ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38-41-38-37
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C(CC(=O)O)C(=O)O
• Isomeric SMILES: [13CH2]([13CH2]C(=O)O)C(=O)O

Technology Process of Butanedioic acid-2,3-13C2

There total 5 articles about Butanedioic acid-2,3-13C2 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: 66.0%

<2,3-13C2>-succinonitrile (83587-79-5) → <2,3-(13)C2>succinic acid (61128-08-3)

Guidance literature:

With potassium hydroxide; dihydrogen peroxide; In water; Heating;

DOI:10.1021/ja00389a060

Reference yield:

[2,3-13C2]acetylenedicarboxylic acid (101391-58-6) → <2,3-(13)C2>succinic acid (61128-08-3) + <2,3-(13)C2>fumaric acid (769108-94-3)

Guidance literature:

With chromium (II); In water; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1002/hlca.19890720418

Reference yield:

potassium cyanide (151-50-8) → <2,3-(13)C2>succinic acid (61128-08-3)

Guidance literature:

DOI:10.1021/ja01178a522

upstream raw materials:

<1,2-(13)C2>dibromoethane

potassium cyanide

1,2-Diphenyl-<1,2-13C2>ethan

<2,3-¹³C₂>-succinonitrile