4-ISOTHIOCYANATOBENZOYL CHLORIDE

Base Information

• Chemical Name: 4-ISOTHIOCYANATOBENZOYL CHLORIDE
• CAS No.: 53611-24-8
• Molecular Formula: C8H4ClNOS
• Molecular Weight: 197.64100
• Hs Code.: 2930909090
• Mol file: 53611-24-8.mol

Synonyms:BENZOIC ACID,4-ISOTHIOCYANO,CHLORIDE;p-Isothiocyanatobenzoyl chloride;benzoyl chloride,4-isothiocyanato;4-isothiocyano-benzoyl chloride;4-isothiocyanato benzoyl chloride;

Chemical Property of 4-ISOTHIOCYANATOBENZOYL CHLORIDE

Chemical Property:

• Vapor Pressure: 0.000422mmHg at 25°C
• Boiling Point: 316oC at 760 mmHg
• Flash Point: 144.9oC
• PSA: 61.52000
• Density: 1.29g/cm3
• LogP: 2.79990

Purity/Quality:

99% ^*data from raw suppliers

4-ISOTHIOCYANATOBENZOYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-ISOTHIOCYANATOBENZOYL CHLORIDE

There total 2 articles about 4-ISOTHIOCYANATOBENZOYL CHLORIDE 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:

4-isothiocyanatobenzoic acid (2131-62-6) → 4-isothiocyanato benzoyl chloride (53611-24-8)

Guidance literature:

With thionyl chloride; for 3h; Heating;

Reference yield:

→ 4-isothiocyanato benzoyl chloride (53611-24-8)

Guidance literature:

Aminobenzoesaeure, CSCl2;

DOI:10.1016/0014-3057(78)90091-5

Reference yield: 68.0%

4-isothiocyanato benzoyl chloride (53611-24-8) + 22-(4-benzoylbenzoyloxy)-3β,14-dihydroxy-5β,14β-card-20(22)-enolide (332949-32-3) → 22-(4-benzoylbenzoyloxy)-14-hydroxy-3β-(4-isothiocyanatobenzoyloxy)-5β,14β-card-20(22)-enolide (332949-43-6)

Guidance literature:

With dmap; In pyridine; at 20 ℃; for 47h;

DOI:10.1016/S0040-4020(00)00916-9

upstream raw materials:

4-isothiocyanatobenzoic acid

Downstream raw materials:

4-Isothiocyanatobenzoyl Azide

22-(4-benzoylbenzoyloxy)-14-hydroxy-3β-(4-isothiocyanatobenzoyloxy)-5β,14β-card-20(22)-enolide

p-Isothiocyanatophenyl isocyanate

(4-Isothiocyanato-phenyl)-carbamic acid 4-nitro-phenyl ester