2,2-dichlorohexanoic Acid

Base Information

• Chemical Name: 2,2-dichlorohexanoic Acid
• CAS No.: 18240-70-5
• Molecular Formula: C₆H₁₀Cl₂O₂
• Molecular Weight: 185.05
• Hs Code.: 2915900090
• DSSTox Substance ID: DTXSID10369175
• Nikkaji Number: J126.798A
• Wikidata: Q82156215
• Mol file: 18240-70-5.mol

Synonyms:2,2-dichlorohexanoic Acid;18240-70-5;starbld0002977;2,2-dichlorocaproic acid;SCHEMBL1158403;DTXSID10369175;AKOS006230483

Chemical Property of 2,2-dichlorohexanoic Acid

Chemical Property:

• Vapor Pressure: 0.00635mmHg at 25°C
• Refractive Index: 1.4615-1.4635
• Boiling Point: 251.7°Cat760mmHg
• Flash Point: 106°C
• PSA: 37.30000
• Density: g/cm³
• LogP: 2.82520
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 184.0057849
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

98%Min ^*data from raw suppliers

2,2-DICHLOROHEXANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 45-36/37/39-26

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,2-dichlorohexanoic Acid

There total 9 articles about 2,2-dichlorohexanoic 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: 87.0%

2,2-dichlorohexanal (57024-78-9) → 2,2-dichlorohexanoic acid (18240-70-5)

Guidance literature:

With potassium dichromate; sulfuric acid; for 3h; Heating;

Reference yield:

Butyl-2,2-dichlorhexanoat → 2,2-dichlorohexanoic acid (18240-70-5)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; water; at 20 ℃; for 3h;

DOI:10.1002/chem.201204137

Reference yield:

2,2-Dichloro-1-hydroperoxy-cyclohexanol → 6,6-dichloro-hex-5-enoic acid (23139-86-8) + 6,6,7,7-tetrachloro-dodecanedioic acid (176374-30-4) + 2,2-dichlorohexanoic acid (18240-70-5) + 2,2-Dichloro-hex-5-enoic acid

Guidance literature:

With iron(II) sulfate; In water; at 15 - 20 ℃; for 1h; Further byproducts given;

DOI:10.1007/BF01433747

upstream raw materials:

1,1,2,2-Tetrachlor-1-trichlorphosphoranylidenamino-hexan

2,2-dichlorohexanal

hexanal

hexan-1-ol

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