Difluorophenylmethyl isocyanate

Base Information

• Chemical Name: Difluorophenylmethyl isocyanate
• CAS No.: 1644-16-2
• Molecular Formula: C8H5F2NO
• Molecular Weight: 169.12800
• Mol file: 1644-16-2.mol

Synonyms:(Difluoro-isocyanato-methyl)-benzene;α,α-Difluorbenzylisocyanat;phenyldifluoromethyl isocyanate;

Chemical Property of Difluorophenylmethyl isocyanate

Chemical Property:

• Boiling Point: 45 - 46 °C (10 mmHg)
• PSA: 29.43000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 2.07170

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Difluorophenylmethyl isocyanate

There total 5 articles about Difluorophenylmethyl 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: 91.0%

silver cyanate (3315-16-0) + a-bromo-a,a-difluorotoluene (83170-17-6) → phenyldifluoromethyl isocyanate (1644-16-2)

Guidance literature:

In dichloromethane; at 20 ℃; for 48h;

Reference yield:

benzyl isothiocyanate (3173-56-6) → phenyldifluoromethyl isocyanate (1644-16-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 73 percent / Cl₂ / CCl₄ / 8 h / 100 °C / Irradiation

2: 72 percent / antimony trifluoride, antimony pentachloride / 1 h / 120 - 130 °C

With antimonypentachloride; antimony(III) fluoride; chlorine; In tetrachloromethane;

Reference yield:

difluoromethylbenzene (455-31-2) → phenyldifluoromethyl isocyanate (1644-16-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 37 percent / Br₂ / CCl₄ / 504 h / Irradiation

2: 91 percent / CH₂Cl₂ / 48 h / 20 °C

With bromine; In tetrachloromethane; dichloromethane;

upstream raw materials:

silver cyanate

a-bromo-a,a-difluorotoluene

benzyl isothiocyanate

difluoromethylbenzene

Downstream raw materials:

N-mesityl-N'-(phenyldifluoromethyl)carbodiimide

N-isopropyl-N'-(phenyldifluoromethyl)carbodiimide

N¹-(N-Phenylcarbamoyl)-N²-phenylbenzimidamide

Refernces

• 1、 Haas, Alois,Spitzer, Martin,Lieb, Max. "Syntheses of New Aromatic Compounds with Fluorinated Side Chains and their Chemical Reactivity". . p. 1329 - 1340. Retrieved 2007/10/02.