TRICHLOROMETHYL ISOCYANATE

Base Information

• Chemical Name: TRICHLOROMETHYL ISOCYANATE
• CAS No.: 30121-98-3
• Molecular Formula: C2Cl3NO
• Molecular Weight: 160.387
• Hs Code.: 29291000
• Mol file: 30121-98-3.mol

Synonyms:Isocyanicacid, trichloromethyl ester (7CI,8CI);Trichloromethyl isocyanate;trichloro(isocyanato)methane;

Chemical Property of TRICHLOROMETHYL ISOCYANATE

Chemical Property:

• Appearance/Colour: clear colourless liquid
• Vapor Pressure: 14.9mmHg at 25°C
• Refractive Index: 1.477-1.479
• Boiling Point: 121 °C at 760 mmHg
• Flash Point: 16 °C
• PSA: 29.43000
• Density: 1.61 g/cm³
• LogP: 1.64990
• Sensitive.: Moisture Sensitive

Purity/Quality:

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

Trichloromethyl Isocyanate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,T
• Hazard Codes: C,T
• Statements: 34-20/21/22-23/24/25
• Safety Statements: 45-36/37/39-25-28-27-26

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Trichloromethyl Isocyanate is used in the preparation of dihydropyrrolopyridine inhibitors of RORγ.

Technology Process of TRICHLOROMETHYL ISOCYANATE

There total 2 articles about TRICHLOROMETHYL 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:

trifluoroacetyl chloride (76-02-8) → N-(trichloromethyl)isocyanate (30121-98-3)

Guidance literature:

Multistep reaction; (i) aq. NaN₃, Ph₂CH₂, (ii) (heating);

Reference yield:

→ N-(trichloromethyl)isocyanate (30121-98-3)

Guidance literature:

/BRN= 635781/, Cl2 (Photolyse);

Reference yield: 100.0%

N-(trichloromethyl)isocyanate (30121-98-3) + benzyl (6-O-acetyl-3,4-O-isopropylidene-2-O-levulinoyl-β-D-galactopyranosyl)-(1->4)-[(3,4-di-O-acetyl-2-O-benzyl-α-L-fucopyranosyl)-(1->2)]-6-O-thexyldimethylsilyl-β-D-glucopyranoside (591774-22-0) → C56H78Cl3NO21Si

Guidance literature:

at 20 ℃;

DOI:10.1002/ejoc.200200425

upstream raw materials:

trifluoroacetyl chloride

Downstream raw materials:

carbamic acid 2-[6-(3-cyano-5-methyl-benzoyl)-5-isopropyl-3-(4-methoxy-benzyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-ethyl ester

7-benzyl-4-chloro-1,7-dihydro-2H-pyrrolo[2,3-h]quinazoline-2-one

3-(4-chlorophenyl)-5-propylisoxazole-4-carboxamide