Isoxazol-5-ylacetonitrile

Base Information

Chemical Name:Isoxazol-5-ylacetonitrile
CAS No.:854137-77-2
Molecular Formula:C₅H₄N₂O
Molecular Weight:108.1
Hs Code.:
European Community (EC) Number:959-248-1
DSSTox Substance ID:DTXSID50407121
Wikidata:Q82212357
Mol file:854137-77-2.mol

Synonyms:854137-77-2;ISOXAZOL-5-YLACETONITRILE;2-(1,2-oxazol-5-yl)acetonitrile;5-Isoxazoleacetonitrile;Isoxazole-5-acetonitrile;(isoxazol-5-yl)acetonitrile;SCHEMBL938464;DTXSID50407121;BPWRJQAETMUBEX-UHFFFAOYSA-N;HMS1732C13;AC6956;MFCD07311004;AKOS000118286;SY233661;CS-0233805;FT-0670572;EN300-13624;A914830;Z90662868

Suppliers and Price of Isoxazol-5-ylacetonitrile

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
5-Isoxazoleacetonitrile
2.5g
$ 1320.00

Medical Isotopes, Inc.
5-Isoxazoleacetonitrile
2.5 g
$ 2200.00

Labseeker
5-isoxazoleacetonitrile 95
2g
$ 2622.00

American Custom Chemicals Corporation
5-ISOXAZOLEACETONITRILE 95.00%
5MG
$ 504.80

AK Scientific
Isoxazol-5-ylacetonitrile
2.5g
$ 1535.00

AK Scientific
Isoxazol-5-ylacetonitrile
500mg
$ 671.00

AK Scientific
Isoxazol-5-ylacetonitrile
100mg
$ 310.00

Total 3 raw suppliers

Chemical Property of Isoxazol-5-ylacetonitrile

Chemical Property:

Boiling Point:256.1±15.0 °C(Predicted)
PKA:-2.83±0.50(Predicted)
PSA：49.82000
Density:1.179±0.06 g/cm3(Predicted)
LogP:0.74068
XLogP3:0.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:108.032362755
Heavy Atom Count:8
Complexity:115

Purity/Quality:

97% ^*data from raw suppliers

5-Isoxazoleacetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(ON=C1)CC#N
Uses An acetonitrile substituted azole derivative.

Technology Process of Isoxazol-5-ylacetonitrile

There total 1 articles about Isoxazol-5-ylacetonitrile 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: 55.0%