1-(Isocyanomethyl)-3-(trifluoromethyl)benzene

Base Information

Chemical Name:1-(Isocyanomethyl)-3-(trifluoromethyl)benzene
CAS No.:602261-89-2
Molecular Formula:C9H6F3N
Molecular Weight:185.149
Hs Code.:
DSSTox Substance ID:DTXSID90375330
Nikkaji Number:J2.143.075G
Wikidata:Q82163859

Synonyms:1-(isocyanomethyl)-3-(trifluoromethyl)benzene;602261-89-2;3-Trifluoromethylbenzylisocyanide;3-trifluoromethylbenzyl isocyanide;Benzene, 1-(isocyanomethyl)-3-(trifluoromethyl)-;SCHEMBL9827773;DTXSID90375330;DGTUVZUBZMBBEV-UHFFFAOYSA-N;3-(Trifluoromethyl)benzyl isocyanide;AKOS006276335;GS-0093;EN300-1929927

Suppliers and Price of 1-(Isocyanomethyl)-3-(trifluoromethyl)benzene

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 6 raw suppliers

Chemical Property of 1-(Isocyanomethyl)-3-(trifluoromethyl)benzene

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:185.04523368
Heavy Atom Count:13
Complexity:213

Purity/Quality:: 98%Min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:[C-]#[N+]CC1=CC(=CC=C1)C(F)(F)F

Technology Process of 1-(Isocyanomethyl)-3-(trifluoromethyl)benzene

There total 2 articles about 1-(Isocyanomethyl)-3-(trifluoromethyl)benzene 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: 88.0%

: 85293-35-2
N-(3-trifluoromethylbenzyl)formamide

: 602261-89-2
1-(isocyanomethyl)-3-(trifluoromethyl)benzene

Guidance literature:: With triethylamine; trichlorophosphate; In dichloromethane; at 0 ℃; Green chemistry;
DOI:10.1039/d0gc02722g

Reference yield:

: 2740-83-2
3-(TRIFLUOROMETHYL)BENZYLAMINE

: 602261-89-2
1-(isocyanomethyl)-3-(trifluoromethyl)benzene

Guidance literature:: Multi-step reaction with 2 steps

1: 95 percent / 4 h / 0 - 20 °C

2: 1.) POCl₃, Et₃N, 2.) aq. Na₂CO₃ / 1.) CH₂Cl₂, 0 deg C, 1 h, 2.) CH₂Cl₂, 1 h

With sodium carbonate; triethylamine; trichlorophosphate;
DOI:10.1021/jm960070+