3,4-Dichlorohexanedioic acid

Base Information

• Chemical Name: 3,4-Dichlorohexanedioic acid
• CAS No.: 15519-50-3
• Molecular Formula: C6H8 Cl2 O4
• Molecular Weight: 215.033
• NSC Number: 86112
• DSSTox Substance ID: DTXSID40935160
• Mol file: 15519-50-3.mol

Synonyms:3,4-dichlorohexanedioic acid;15519-50-3;3,4-Dichloroadipic acid;Dichloroadipic;NSC86112;Hexanedioic acid,4-dichloro-;SCHEMBL7820321;DTXSID40935160;NSC-86112

Chemical Property of 3,4-Dichlorohexanedioic acid

Chemical Property:

• Vapor Pressure: 6.28E-06mmHg at 25°C
• Boiling Point: 352.9°Cat760mmHg
• Flash Point: 167.2°C
• Density: 1.532g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 213.9799641
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Dichlorohexanedioic acid

There total 6 articles about 3,4-Dichlorohexanedioic 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: 11.3%

(E)-3-hexene-1,6-dioic acid (29311-53-3) → 3,4-dichlorohexanedioic acid (15519-50-3)

Guidance literature:

With thionyl chloride; In tetrahydrofuran; for 9.3h; Heating; and for 15.5 h at room temperature;

DOI:10.1016/S0022-328X(97)00598-6

Reference yield:

→ 3,4-dichlorohexanedioic acid (15519-50-3)

Guidance literature:

With chlorine; acetic acid;

Reference yield:

→ 3,4-dichlorohexanedioic acid (15519-50-3)

Guidance literature:

With chlorine; acetic acid;

upstream raw materials:

Adipic acid dichloride

sulfuryl dichloride

chlorine

iodine

Downstream raw materials:

(2E,4E)-2,4-hexadienedioic acid

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