1-Fluoro-3-isocyanobenzene

Base Information

Chemical Name:1-Fluoro-3-isocyanobenzene
CAS No.:24075-35-2
Molecular Formula:C7H4FN
Molecular Weight:121.114
Hs Code.:
European Community (EC) Number:858-680-7
DSSTox Substance ID:DTXSID90374646
Wikidata:Q82163246
Mol file:24075-35-2.mol

Synonyms:1-fluoro-3-isocyanobenzene;24075-35-2;Benzene, 1-fluoro-3-isocyano- (9CI);SCHEMBL2921977;DTXSID90374646;AC8791;Benzene,1-fluoro-3-isocyano-(9ci);MFCD04117620;AKOS006237656;GS-0320;1-Fluoro-3-isocyanobenzene, AldrichCPR;SY185141;EN300-69931

Suppliers and Price of 1-Fluoro-3-isocyanobenzene

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

TRC
1-fluoro-3-isocyanobenzene
50mg
$ 90.00

AK Scientific
1-Fluoro-3-isocyanobenzene
10g
$ 1133.00

Total 6 raw suppliers

Chemical Property of 1-Fluoro-3-isocyanobenzene

Chemical Property:

PSA：0.00000
LogP:1.60720
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:121.032777294
Heavy Atom Count:9
Complexity:135

Purity/Quality:

97% ^*data from raw suppliers

1-fluoro-3-isocyanobenzene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:[C-]#[N+]C1=CC(=CC=C1)F

Technology Process of 1-Fluoro-3-isocyanobenzene

There total 3 articles about 1-Fluoro-3-isocyanobenzene 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: 97.2%

: 1428-10-0
N-(3-fluorophenyl)formamide

: 24075-35-2
1-fluoro-3-isocyanobenzene

Guidance literature:: With triethylamine; trichlorophosphate; at 0 ℃; for 0.5h; Inert atmosphere;
DOI:10.1039/d0md00353k

Reference yield:

: 372-19-0
meta-fluoroaniline

: 24075-35-2
1-fluoro-3-isocyanobenzene

Guidance literature:: Multi-step reaction with 2 steps

1: sodium hexamethyldisilazane / tetrahydrofuran / 0 - 20 °C

2: diisopropylamine; trichlorophosphate / toluene / 0 °C

With sodium hexamethyldisilazane; diisopropylamine; trichlorophosphate; In tetrahydrofuran; toluene;
DOI:10.1055/s-0036-1588130