2,4,6-TRICHLOROPHENYL ISOCYANATE

Base Information

• Chemical Name: 2,4,6-TRICHLOROPHENYL ISOCYANATE
• CAS No.: 2505-31-9
• Molecular Formula: C7H2 Cl3 N O
• Molecular Weight: 222.458
• Hs Code.: 29291090
• Mol file: 2505-31-9.mol

Synonyms:Isocyanicacid, 2,4,6-trichlorophenyl ester (7CI,8CI); 2,4,6-Trichlorophenyl isocyanate

Chemical Property of 2,4,6-TRICHLOROPHENYL ISOCYANATE

Chemical Property:

• Vapor Pressure: 0.0104mmHg at 25°C
• Melting Point: 64-67 °C(lit.)
• Refractive Index: 1.597
• Boiling Point: 101°C 2mm
• Flash Point: 97.7°C
• PSA: 29.43000
• Density: 1.51g/cm³
• LogP: 3.61410
• Storage Temp.: Refrigerator
• Sensitive.: Moisture Sensitive

Purity/Quality:

98%,99%, ^*data from raw suppliers

2,4,6-Trichlorophenyl Isocyanate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2,4,6-TRICHLOROPHENYL ISOCYANATE

There total 7 articles about 2,4,6-TRICHLOROPHENYL ISOCYANATE 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: 30.0%

carbon monoxide (201230-82-2) + 2,4,6-trichloronitrobenzene (18708-70-8) → 2,4,6-trichlorophenyl isocyanate (2505-31-9)

Guidance literature:

bis(tetrahydrofurane)oxovanadium(IV) dichloride; (Bu4N); In 1,2-dichloro-benzene; at 120 ℃; under 750.06 Torr;

Reference yield:

chlorine (7782-50-5) + phenyl isocyanate (103-71-9) + bis(diphenyl)urea (102-07-8) → 2,4-dichlorophenyl isocyanate (2612-57-9) + p-chlorphenylisocyanate (104-12-1) + 2,4,6-trichlorophenyl isocyanate (2505-31-9)

Guidance literature:

at 120 - 130 ℃;

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + 2,4,6-trichloroaniline (634-93-5) → 2,4,6-trichlorophenyl isocyanate (2505-31-9)

Guidance literature:

With triethylamine; In toluene; for 2h; Reflux;

DOI:10.3987/COM-12-S(N)109

upstream raw materials:

phosgene

2,4,6-trichloroaniline

carbon monoxide

2,4,6-trichloronitrobenzene

Downstream raw materials:

2-[2-(trimethylsilyl)ethoxymethyl]-1,2,3-triazole-4-carboxylic acid 2,4,6-trichlorophenylamide

3-(2,4,6-trichlorophenyl)-2,4(1H,3H)-quinazolinedione

1-{4-[(4-amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazole-3-yl)methyl]phenyl}-3-(2,4,6-trichlorophenyl)urea

(4-{[(2,4,6-trichlorophenyl)carbamoyl]amino}phenyl)acetic acid

Refernces

• 1、 Matsumoto, Yotaro,Noguchi-Yachide, Tomomi,Nakamura, Masaharu,Mita, Yusuke,Numadate, Akiyoshi,Hashimoto, Yuichi. "Specific inhibitors of puromycin-sensitive aminopeptidase with a 3-(halogenated phenyl)-2,4(1H,3H)-quinazolinedione skeleton". . p. 1449 - 1463. Retrieved 2013/08/23.
• 2、 -. "Polyhalogenated phenyl isocyanate synthesis with excess phosgene and either triethylamine or tetramethylurea". . . Retrieved 2008/06/13.