(1,2-13C2)Butanedioic acid

Base Information

• Chemical Name: (1,2-13C2)Butanedioic acid
• CAS No.: 94641-55-1
• Molecular Formula: C₄H₆O₄
• Molecular Weight: 120.067
• European Community (EC) Number: 804-321-4
• DSSTox Substance ID: DTXSID50584022
• Wikidata: Q82475648
• Mol file: 94641-55-1.mol

Synonyms:94641-55-1;(1,2-13C2)Butanedioic acid;Succinic-1,2-13C2 acid;SCHEMBL1332339;DTXSID50584022;(1,2-~13~C_2_)Butanedioic acid;Succinic acid-1,2-13C2, 99 atom % 13C

Chemical Property of (1,2-13C2)Butanedioic acid

Chemical Property:

• Melting Point: 187-190 °C(lit.)
• Boiling Point: 235 °C
• PSA: 74.60000
• 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-1,2-13C2 95.00% ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (1,2-13C2)Butanedioic acid

There total 1 articles about (1,2-13C2)Butanedioic acid 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:

C6(13)C2H12O4 → [1,2-13C2] succinic acid (94641-55-1)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; for 6h; Ambient temperature;

DOI:10.1016/S0040-4020(97)00473-0