Benzyl cyanate

Base Information Edit

Chemical Name:Benzyl cyanate
CAS No.:75403-69-9
Molecular Formula:C8H7NO
Molecular Weight:133.15
Hs Code.:
DSSTox Substance ID:DTXSID80545989
Nikkaji Number:J3.046.430C
Wikidata:Q82423662
Mol file:75403-69-9.mol

Synonyms:75403-69-9;benzyl cyanate;(Cyanatomethyl)benzene;SCHEMBL1111408;DTXSID80545989

Suppliers and Price of Benzyl cyanate

Supply Marketing:Edit

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

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Total 0 raw suppliers

Chemical Property of Benzyl cyanate Edit

Chemical Property:

Boiling Point:67-70 °C(Press: 3 Torr)
PSA：33.02000
Density:1.091±0.06 g/cm3(Predicted)
LogP:1.68428
XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:133.052763847
Heavy Atom Count:10
Complexity:129

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC#N

Technology Process of Benzyl cyanate

There total 2 articles about Benzyl cyanate 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: 54.8%

: 75-44-5
phosgene

: 14856-79-2
N-benzyl(trimethylsilyl)amine

: 3173-56-6
benzyl isothiocyanate

: 75403-69-9
benzyl cyanate

Guidance literature:: In toluene; at 0 ℃; Title compound not separated from byproducts.;
DOI:10.1134/S1070363206030182

Reference yield:

: 100-46-9
benzylamine

: 75403-69-9
benzyl cyanate

Guidance literature:: Multi-step reaction with 2 steps

1: 91.3 percent / H₂SO₄ / 2 h / Heating

2: 3 percent / toluene / 0 °C

With sulfuric acid; In toluene;
DOI:10.1134/S1070363206030182