2-Chlorobenzoate

Base Information

• Chemical Name: 2-Chlorobenzoate
• CAS No.: 16887-75-5
• Molecular Formula: C₇H₄ClO₂
• Molecular Weight: 155.561
• DSSTox Substance ID: DTXSID801302673
• Nikkaji Number: J712.922J
• Wikidata: Q27103624
• Mol file: 16887-75-5.mol

Synonyms:2-chlorobenzoate;2-chlorobenzoic acid;2-chlorobenzoic acid, copper (2+) salt;2-chlorobenzoic acid, nickel (2+) salt;2-chlorobenzoic acid, potassium salt

Chemical Property of 2-Chlorobenzoate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 154.9899821
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)[O-])Cl

Technology Process of 2-Chlorobenzoate

There total 1 articles about 2-Chlorobenzoate 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:

2-Chloro-thiobenzoic acid S-(2,4-dinitro-phenyl) ester (83280-95-9) → 2-chlorobenzoate (16887-75-5) + 2,4-dinitrobenzenethiolate anion (56437-88-8)

Guidance literature:

With hydroxide; In 1,4-dioxane; water; Kinetics; Thermodynamic data; Mechanism; pH 9.22, logarithms of the rate constants, ΔH(excit.), ΔS(excit.);

DOI:10.1007/BF00954149

Reference yield: 95.0%

2-chlorobenzoate (16887-75-5) → benzoate (766-76-7)

Guidance literature:

With ruthenium(II) tris(4,4'-dimethyl-2,2'-bipyridine); sodium dodecyl-sulfate; ascorbate; In water; for 14h; UV-irradiation;

DOI:10.1002/chem.201801955

Reference yield: 60.0%

{(C6H5C6H5)2Cr}(1+)*OC6H5(1-)={(C6H5C6H5)2Cr}OC6H5 (33409-77-7) + 2-chlorobenzoate (16887-75-5) → {(C6H5C6H5)2Cr}O2CC6H4Cl-o

Guidance literature:

In chloroform;

upstream raw materials:

2-Chloro-thiobenzoic acid S-(2,4-dinitro-phenyl) ester

Downstream raw materials:

C₁₃H₆N₅O₁₀^(1-)

(2,2',4,4',6,6'-hexanitro-diphenyl)-methyl anion

benzoate