5-Chloro-2-mercaptobenzoic acid

Base Information

• Chemical Name: 5-Chloro-2-mercaptobenzoic acid
• CAS No.: 20324-50-9
• Molecular Formula: C7H5 Cl O2 S
• Molecular Weight: 188.635
• Hs Code.: 2930909090
• European Community (EC) Number: 633-850-1
• DSSTox Substance ID: DTXSID60574116
• Wikidata: Q82463038
• Mol file: 20324-50-9.mol

Synonyms:5-CHLORO-2-MERCAPTOBENZOIC ACID;20324-50-9;5-chloro-2-sulfanylbenzoic acid;Benzoic acid, 5-chloro-2-mercapto-;5-Chloro-2-mercapto-Benzoicacid;MFCD07368340;5-chlorothiosalicylic acid;5-chlorothiosalicyclic acid;SCHEMBL2472516;2-mercapto-5-chlorobenzoic acid;DTXSID60574116;5-chloro-2-mercapto-benzoic acid;BRJPZCDOLGSYPS-UHFFFAOYSA-N;AKOS005215790;AT20778;CS-0308330;A18416;EN300-115571;Z838079260

Chemical Property of 5-Chloro-2-mercaptobenzoic acid

Chemical Property:

• PSA: 76.10000
• LogP: 2.32690
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 187.9698783
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98%min ^*data from raw suppliers

5-chloro-2-sulfanylbenzoicacid ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)C(=O)O)S

Technology Process of 5-Chloro-2-mercaptobenzoic acid

There total 11 articles about 5-Chloro-2-mercaptobenzoic 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: 90.0%

→ 5-chloro-2-mercapto-benzoic acid (20324-50-9)

Guidance literature:

Reference yield:

2-carboxy-4-chlorophenyl azide (88279-11-2) → 5-chloro-2-mercapto-benzoic acid (20324-50-9)

Guidance literature:

With hydrogenchloride; potassium ethyl xanthogenate; In water; at 20 - 65 ℃; pH=~ 3;

Reference yield:

5-chloro-2-mercaptobenzonitrile (38244-31-4) → 5-chloro-2-mercapto-benzoic acid (20324-50-9)

Guidance literature:

With sodiumsulfide nonahydrate; sodium hydroxide; at 175 ℃; for 15h; Autoclave;

DOI:10.1016/j.ejmech.2019.02.002

upstream raw materials:

2,2'-dithiobis<5-chlorobenzoic acid>

5-chloroanthranilic acid

potassium ethyl xanthogenate

methyl 5-chloro-2-hydroxybenzoate

Downstream raw materials:

5-Chloro-2-(4-chloro-benzylsulfanyl)-benzoic acid

5-chloro-2-(4-ethoxycarbonyl-2-nitrophenylthio)benzoic acid

6,6'-thiobis(3-chlorobenzoic acid)

2-(benzhydrylthio)benzoic acid

Refernces

• 1、 Wang, Shengzheng,Fang, Kun,Dong, Guoqiang,Chen, Shuqiang,Liu, Na,Miao, Zhenyuan,Yao, Jianzhong,Li, Jian,Zhang, Wannian,Sheng, Chunquan. "Scaffold Diversity Inspired by the Natural Product Evodiamine: Discovery of Highly Potent and Multitargeting Antitumor Agents". . p. 6678 - 6696. Retrieved 2015/09/07.
• 2、 -. "USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY". Page/Page column 293. . Retrieved 2008/12/04.