3-Chlorosalicylic acid

Base Information

• Chemical Name: 3-Chlorosalicylic acid
• CAS No.: 1829-32-9
• Molecular Formula: C7H5ClO3
• Molecular Weight: 172.568
• Hs Code.: 2918290000
• European Community (EC) Number: 217-379-5
• NSC Number: 18854
• UNII: CQE9J25ZES
• DSSTox Substance ID: DTXSID10171356
• Nikkaji Number: J199.646K
• Wikidata: Q223071
• Mol file: 1829-32-9.mol

Synonyms:3-Chlorosalicylic acid;3-Chloro-2-hydroxybenzoic acid;1829-32-9;Benzoic acid, 3-chloro-2-hydroxy-;Salicylic acid, 3-chloro-;Benzoic acid, chloro-2-hydroxy-;MFCD00010390;NSC 18854;CQE9J25ZES;EINECS 217-379-5;NSC-18854;3-chloro-2-hydroxy-benzoic acid;UNII-CQE9J25ZES;3-chlorohydroxybenzoic acid;3-Chloro-2-hydroxybenzoicacid;SCHEMBL372307;3-Chlorosalicylic acid, 98%;2-hydroxy-3-chloro-benzoic acid;3-chloro-2-hydroxy benzoic acid;DTXSID10171356;3-Chloro-2-hydroxybenzoic acid #;BCP30620;NSC18854;CL8078;STL118201;AKOS005166743;CS-W017581;FS-3246;SY030141;AM20060531;C3522;FT-0615531;EN300-50295;A812734;Q223071;3-chloro-2-hydroxy-benzoate;J-011707;Z367679194;3-Chloro-2-hydroxybenzoic acid pound>>Benzoic acid, 3-chloro-2-hydroxy- pound>>Salicylic acid, 3-chloro-

Chemical Property of 3-Chlorosalicylic acid

Chemical Property:

• Appearance/Colour: White Solid
• Vapor Pressure: 0.000876mmHg at 25°C
• Melting Point: 184-186 ºC
• Boiling Point: 291.7 ºC at 760 mmHg
• PKA: 2.43±0.10(Predicted)
• Flash Point: 130.2 ºC
• PSA: 57.53000
• Density: 1.536 g/cm³
• LogP: 1.74380
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO (Sparingly), Methanol (Slightly)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.9927217
• Heavy Atom Count: 11
• Complexity: 160

Purity/Quality:

98%Min ^*data from raw suppliers

3-Chlorosalicylic Acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)O)C(=O)O
• Uses: 3-Chlorosalicylic Acid (cas# 1829-32-9) is a compound useful in organic synthesis.

Technology Process of 3-Chlorosalicylic acid

There total 37 articles about 3-Chlorosalicylic 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: 100.0%

3-chloro-2-hydroxy-thiobenzoic acid S-methyl ester (116025-20-8) → 3-Chloro-2-hydroxybenzoic acid (1829-32-9)

Guidance literature:

With lithium hydroxide; In methanol; at 20 ℃; for 6h;

DOI:10.1039/b316802f

Reference yield: 91.0%

carbon dioxide (124-38-9,18923-20-1) + chloro-1 methoxymethylenoxy-2 benzene (27701-22-0) → 3-Chloro-2-hydroxybenzoic acid (1829-32-9)

Guidance literature:

chloro-1 methoxymethylenoxy-2 benzene; With n-butyllithium; In tetrahydrofuran; hexane; at 0 ℃; for 1.5h;

carbon dioxide; In tetrahydrofuran; hexane; at -78 ℃; for 1.5h;

With hydrogenchloride; In tetrahydrofuran; hexane; at 20 ℃;

DOI:10.1139/cjc-79-11-1541

Reference yield: 85.0%

2,3-dichlorbenzoic acid (50-45-3) → 3-Chloro-2-hydroxybenzoic acid (1829-32-9)

Guidance literature:

With pyridine; copper; potassium carbonate; In water; for 2h; Heating;

DOI:10.1081/SCC-120004857

upstream raw materials:

2,3-dichlorbenzoic acid

3-chloro-2-hydroxy-benzoic acid-(2,2,2-trichloro-1-hydroxy-ethylamide)

salicylic acid disodium salt

5-sulfosalicylic Acid

Downstream raw materials:

3-chloro-2-methoxybenzoic acid

3,3'-dichloro-5,5'-dicarboxy-4,4'-dihydroxydiphenylmethane

2-(2'-Hydroxy-3'-chlorophenyl)benzothiazole

2-(acetylocy)-3-chlorobenzoic acid

Refernces

• 1、 Burns, Michael K.,Coffin, Jane M.,Kurobane, Itsuo,Vining, Leo C.,McInnes, A. Gavin,et al.. "Biosynthesis of Chlorflavonin in Aspergillus candidus. 13C- and 14C-Labelling Evidence for a New Route to the Flavonoid Structure". . p. 1411 - 1416. Retrieved 1981.
• 2、 Wu, Yong-Qi,Lu, Hai-Jia,Zhao, Wen-Ting,Zhao, Hong-Yi,Lin, Zi-Yun,Zhang, Dong-Feng,Huang, Hai-Hong. "A convenient and efficient H2SO4-promoted regioselective monobromination of phenol derivatives using N-bromosuccinimide". supporting information. p. 813 - 822. Retrieved 2020/02/15.
• 3、 Wang, Yang,Gevorgyan, Vladimir. "General method for the synthesis of salicylic acids from phenols through palladium-catalyzed silanol-directed C-H carboxylation". . p. 2255 - 2259. Retrieved 2015/02/19.