Heptanoic acid, 7-chloro-

Base Information

• Chemical Name: Heptanoic acid, 7-chloro-
• CAS No.: 821-57-8
• Molecular Formula: C7H13ClO2
• Molecular Weight: 164.632
• DSSTox Substance ID: DTXSID50231564
• Nikkaji Number: J49.360K
• Wikidata: Q83112504
• Mol file: 821-57-8.mol

Synonyms:7-Chloroheptanoic acid;HEPTANOIC ACID, 7-CHLORO-;821-57-8;Chlorenanthic acid;Enantic acid, 7-chloro-;Heptanoic acid,7-chloro-;7-CHLOROHEPTANOICACID;BRN 1752111;C7H13ClO2;4-02-00-00966 (Beilstein Handbook Reference);SCHEMBL4529391;DTXSID50231564;AKOS006239041;LS-74374;FT-0692946

Chemical Property of Heptanoic acid, 7-chloro-

Chemical Property:

• Vapor Pressure: 0.00201mmHg at 25°C
• Refractive Index: 1.457
• Boiling Point: 269.8 °C at 760 mmHg
• PKA: 4.76±0.10(Predicted)
• Flash Point: 117 °C
• PSA: 37.30000
• Density: 1.096 g/cm³
• LogP: 2.26030
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 164.0604073
• Heavy Atom Count: 10
• Complexity: 93.6

Purity/Quality:

99%, ^*data from raw suppliers

7-CHLOROHEPTANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCCCl)CCC(=O)O

Technology Process of Heptanoic acid, 7-chloro-

There total 15 articles about Heptanoic acid, 7-chloro- 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:

1,1,1,7-tetrachloroheptane (3922-36-9) → 7-chloroheptanoic acid (821-57-8)

Guidance literature:

With nitric acid;

Reference yield:

7-Chlor-heptin-(2)-saeure (89856-94-0) → 7-chloroheptanoic acid (821-57-8)

Guidance literature:

With hydrogen; nickel; In ethanol;

Reference yield:

cycloheptanone hydroperoxide (95257-99-1) → 7-chloroheptanoic acid (821-57-8)

Guidance literature:

With copper(l) chloride; sodium chloride; In methanol; at 18 - 20 ℃; for 1h;

DOI:10.1007/BF00948868

upstream raw materials:

1,1,1,7-tetrachloroheptane

1,1,7-trichloro-1-heptene

carbon dioxide

(6-chlorohexyl)magnesium bromide

Downstream raw materials:

hept-6-enoic acid

7,7'-imino-di-heptanoic acid

7-aminoheptanoic acid

7-dimethylamino-heptanoic acid

Refernces

• 1、 Nikishin, Gennady I.,Sokova, Lyubov L.,Makhaev, Viktor D.,Kapustina, Nadezhda I.. "Solid-phase reactions of alkanedicarboxylic acids with the Pb(OAc) 4-NH4Cl system". . p. 264 - 265. Retrieved 2007/10/03.
• 2、 Nikishin, G.I.,Aleksandrov, A.V.,Ignatenko, A.V.,Starostin, E.K.. "SYNTHESIS OF ω-HALOALKANOIC ACIDS BY THE CATALYTIC DECOMPOSITION OF CYCLOALKANE HYDROPEROXIDES BY COPPER IONS". . p. 2407 - 2409. Retrieved 2007/10/02.