2-Fluorobenzoyl isocyanate

Base Information

Chemical Name:2-Fluorobenzoyl isocyanate
CAS No.:62869-34-5
Molecular Formula:C8H4FNO2
Molecular Weight:165.124
Hs Code.:
DSSTox Substance ID:DTXSID80517565

Synonyms:2-fluorobenzoyl isocyanate;62869-34-5;Benzoyl isocyanate, 2-fluoro-;SCHEMBL4145212;DTXSID80517565;REUCDVKHMVGFOG-UHFFFAOYSA-N;AKOS022300112

Suppliers and Price of 2-Fluorobenzoyl isocyanate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 2-Fluorobenzoyl isocyanate

Chemical Property:

XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:165.02260653
Heavy Atom Count:12
Complexity:223

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C(=C1)C(=O)N=C=O)F

Technology Process of 2-Fluorobenzoyl isocyanate

There total 3 articles about 2-Fluorobenzoyl 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:

: 79-37-8
oxalyl dichloride

: 445-28-3
2-fluorobenzamide

: 62869-34-5
2-fluorobenzoyl isocyanate

Guidance literature:: In dichloromethane; Heating;
DOI:10.1021/jm00109a015

Reference yield:

: 445-29-4
o-fluoro-benzoic acid

: 62869-34-5
2-fluorobenzoyl isocyanate

Guidance literature:: Multi-step reaction with 3 steps

1: thionyl chloride / toluene / 3 h / Reflux

2: ammonium hydroxide / 1 h / 0 - 10 °C

3: 1,2-dichloro-ethane / 6 h / Reflux; Inert atmosphere

With ammonium hydroxide; thionyl chloride; In 1,2-dichloro-ethane; toluene;
DOI:10.1016/j.bmcl.2016.03.085

Reference yield:

: 393-52-2
2-Fluorobenzoyl chloride

: 62869-34-5
2-fluorobenzoyl isocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: ammonium hydroxide / 1 h / 0 - 10 °C

2: 1,2-dichloro-ethane / 6 h / Reflux; Inert atmosphere

With ammonium hydroxide; In 1,2-dichloro-ethane;
DOI:10.1016/j.bmcl.2016.03.085