3-Chloro-cis-muconic acid

Base Information

• Chemical Name: 3-Chloro-cis-muconic acid
• CAS No.: 76799-83-2
• Molecular Formula: C₆H₅ClO₄
• Molecular Weight: 176.556
• DSSTox Substance ID: DTXSID601277113
• Metabolomics Workbench ID: 55864
• Wikidata: Q27117849

Synonyms:3-Chloro-cis-muconic acid;(Z,Z)-3-Chloro-2,4-hexadienedioic acid;(Z,Z)-3-chloromuconic acid;(2Z,4Z)-3-chlorohexa-2,4-dienedioic acid;76799-83-2;2,4-HEXADIENEDIOIC ACID, 3-CHLORO-, (Z,Z)-;cis-3-chloromuconic acid;CHEBI:38435;DTXSID601277113;LMFA01090149;(2Z,4Z)-3-Chloro-2,4-hexadienedioic acid;Q27117849

Chemical Property of 3-Chloro-cis-muconic acid

Chemical Property:

• Vapor Pressure: 8.03E-05mmHg at 25°C
• Boiling Point: 317.7°C at 760 mmHg
• Flash Point: 145.9°C
• Density: 1.531g/cm³
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 175.9876363
• Heavy Atom Count: 11
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(=CC(=O)O)C(=CC(=O)O)Cl
• Isomeric SMILES: C(=C\C(=O)O)\C(=C\C(=O)O)\Cl

Technology Process of 3-Chloro-cis-muconic acid

There total 1 articles about 3-Chloro-cis-muconic 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:

4-chloro-1,2-benzenediol (2138-22-9) → (Z,Z)-3-chloromuconic acid (76799-83-2)

Guidance literature:

With catechol 1,2-dioxygenase from Acinetobacter radioresistens S₁₃; β-cyclodextrin cross linked with carbonate nanosponge; at 30 ℃; pH=8; aq. buffer; Enzymatic reaction;

DOI:10.1039/b903105g

upstream raw materials:

4-chloro-1,2-benzenediol

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