6-Chlorohexanoic acid

Base Information

• Chemical Name: 6-Chlorohexanoic acid
• CAS No.: 4224-62-8
• Molecular Formula: C6H11ClO2
• Molecular Weight: 150.605
• Hs Code.: 2915900090
• European Community (EC) Number: 700-529-3
• UNII: NWA54WK4TF
• DSSTox Substance ID: DTXSID50195076
• Nikkaji Number: J49.409G
• Wikidata: Q27285082
• Mol file: 4224-62-8.mol

Synonyms:6-Chlorohexanoic acid;4224-62-8;6-Chloro-N-Hexanoic Acid;6-Chlorocaproic acid;HEXANOIC ACID, 6-CHLORO-;UNII-NWA54WK4TF;NWA54WK4TF;BRN 1749733;MFCD00061103;EC 700-529-3;4-02-00-00936 (Beilstein Handbook Reference);6-Chlorohexanoicacid;Chlorohexanoicacid;98%;SCHEMBL203284;XWWKSLXUVZVGSP-UHFFFAOYSA-;DTXSID50195076;BCP26946;.EPSILON.-CHLOROCAPROIC ACID;AKOS009159214;CS-W018132;AS-11070;LS-75218;SY053214;FT-0689765;EN300-57008;A15565;D77823;Q27285082

Chemical Property of 6-Chlorohexanoic acid

Chemical Property:

• Melting Point: 26 °C
• Refractive Index: 1.4680 (589.3 nm 20℃)
• Boiling Point: 254.4 °C at 760 mmHg
• PKA: 4.73±0.10(Predicted)
• Flash Point: 107.6 °C
• PSA: 37.30000
• Density: 1.127 g/cm³
• LogP: 1.87020
• Storage Temp.: 2-8°C
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 150.0447573
• Heavy Atom Count: 9
• Complexity: 83.1

Purity/Quality:

98%, ^*data from raw suppliers

6-Chlorohexanoic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCC(=O)O)CCCl

Technology Process of 6-Chlorohexanoic acid

There total 8 articles about 6-Chlorohexanoic 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:

heptanedioic acid (111-16-0) → 1,5-dichloropentane (628-76-2) + 6-chlorohexanoic acid (4224-62-8)

Guidance literature:

With lead(IV) acetate; ammonium chloride; at 20 ℃; for 96h;

DOI:10.1007/s11172-005-0099-5

Reference yield:

cyclohexanol (108-93-0) → 6-chlorohexanoic acid (4224-62-8) + 6-chlorohexanal (52387-36-7) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + hexanal (66-25-1)

Guidance literature:

With pyridine; lead(IV) acetate; lithium chloride; In benzene; at 65 - 70 ℃; for 0.25h; Further byproducts given;

DOI:10.1007/BF00948994

Reference yield:

cyclohexanol (108-93-0) → 2,4,6-tris(5-chloroamyl)-1,3,5-trioxane (93636-84-1) + 6-chlorohexanoic acid (4224-62-8) + 6-chlorohexanal (52387-36-7) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4)

Guidance literature:

With pyridine; lead(IV) acetate; lithium chloride; In benzene; at 65 - 70 ℃; for 0.25h; Further byproducts given;

DOI:10.1007/BF00948994

upstream raw materials:

cyclohexanol

2-chloro-1-hydroperoxy-cyclohexanol

caprolactam

hydrogenchloride

Downstream raw materials:

6-chloro-1-hexanol

1,10-dichlorodecane

2-bromo-6-chloro-hexanoic acid ethyl ester

6-Chlor-2'-hydroxy-5'-methyl-caprophenon

Refernces

• 1、 Starostin,Gushchin,Ignatenko,Aleksandrov,Nikishin. "Decyclization of chlorocyclohexanone hydroperoxides under the action of ferrous salts". . p. 133 - 136. Retrieved 2007/10/03.