2-HYDROXY-4-ISOTHIOCYANATOBENZOIC ACID

Base Information

• Chemical Name: 2-HYDROXY-4-ISOTHIOCYANATOBENZOIC ACID
• CAS No.: 7506-87-8
• Molecular Formula: C8H5NO3S
• Molecular Weight: 195.199
• Mol file: 7506-87-8.mol

Synonyms:Salicylicacid, 4-isothiocyanato- (6CI,8CI);2-Hydroxy-4-isothiocyanatobenzoic acid;NSC 407833;4-Carboxy-3-hydroxyphenylisothiocyanate;Phenyl (4-isothiocyanato)salicylate;

Chemical Property of 2-HYDROXY-4-ISOTHIOCYANATOBENZOIC ACID

Chemical Property:

• Vapor Pressure: 1.28E-07mmHg at 25°C
• Refractive Index: 1.64
• Boiling Point: 414.6 °C at 760 mmHg
• Flash Point: 204.6 °C
• PSA: 101.98000
• Density: 1.41 g/cm³
• LogP: 1.82470

Purity/Quality:

99% ^*data from raw suppliers

2-HYDROXY-4-ISOTHIOCYANATO BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-HYDROXY-4-ISOTHIOCYANATOBENZOIC ACID

There total 7 articles about 2-HYDROXY-4-ISOTHIOCYANATOBENZOIC 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: 83.0%

thiophosgene (463-71-8) + 4-Aminosalicylic acid (65-49-6) → 4-isothiocyanatosalicylic acid (7506-87-8)

Guidance literature:

With hydrogenchloride; at 0 ℃;

DOI:10.1124/mol.107.043208

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 4-Aminosalicylic acid (65-49-6) → 4-isothiocyanatosalicylic acid (7506-87-8)

Guidance literature:

carbon disulfide; 4-Aminosalicylic acid; With ammonium hydroxide; at 0 - 5 ℃;

With lead(II) nitrate;

DOI:10.1016/j.bmcl.2003.11.044

Reference yield:

4-Aminosalicylic acid (65-49-6) → 4-isothiocyanatosalicylic acid (7506-87-8)

Guidance literature:

at 100 ℃;

upstream raw materials:

4-Aminosalicylic acid

phosgene

thiophosgene

carbon disulfide

Downstream raw materials:

4-[N'-(10-amino-decyl)-thioureido]-2-hydroxy-benzoic acid

2-hydroxy-4-[N'-(4-phenylazo-phenyl)-thioureido]-benzoic acid

2-hydroxy-4-(N'-[2]naphthyl-thioureido)-benzoic acid

4-[N'-(4-amino-phenyl)-thioureido]-2-hydroxy-benzoic acid

Refernces

• 1、 -. "Inhibitors of calcium-activated chloride channels". Page/Page column 8; 60. . Retrieved 2017/11/07.
• 2、 De La Fuente, Ricardo,Namkung, Wan,Mills, Aaron,Verkman, Alan S.. "Small-molecule screen identifies inhibitors of a human intestinal calcium-activated chloride channel". . p. 758 - 768. Retrieved 2008/09/20.