2-Propenenitrile, 3-(3-nitrophenyl)-

Base Information

Chemical Name:2-Propenenitrile, 3-(3-nitrophenyl)-
CAS No.:31145-08-1
Molecular Formula:C9H6N2O2
Molecular Weight:174.159
Hs Code.:2926909090
NSC Number:161082
DSSTox Substance ID:DTXSID901281008
Nikkaji Number:J1.832.139D
Wikidata:Q76306042
Mol file:31145-08-1.mol

Synonyms:m-Nitrocinnamonitrile;2-Propenenitrile, 3-(3-nitrophenyl)-;CINNAMONITRILE, m-NITRO-;31145-08-1;NSC 161082;87259-18-5;3-(3-NITRO-PHENYL)-ACRYLONITRILE;NSC161082;SCHEMBL100242;SCHEMBL2062219;3-(3-Nitro-phenyl)acrylonitrile;DTXSID901281008;(E)-3-(3-nitrophenyl)acrylonitrile;(E)-3-(3-Nitrophenyl)propenenitrile;NSC-161082;LS-54233;(2E)-3-(3-Nitrophenyl)-2-propenenitrile

Suppliers and Price of 2-Propenenitrile, 3-(3-nitrophenyl)-

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

American Custom Chemicals Corporation
3-(3-NITRO-PHENYL)-ACRYLONITRILE 95.00%
5MG
$ 501.79

Total 3 raw suppliers

Chemical Property of 2-Propenenitrile, 3-(3-nitrophenyl)-

Chemical Property:

Melting Point:160 °C
Boiling Point:340.9±25.0 °C(Predicted)
PSA：69.61000
Density:1.284±0.06 g/cm3(Predicted)
LogP:2.65478
XLogP3:1.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:174.042927438
Heavy Atom Count:13
Complexity:259

Purity/Quality:

99% ^*data from raw suppliers

3-(3-NITRO-PHENYL)-ACRYLONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)[N+](=O)[O-])C=CC#N
Isomeric SMILES:C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C#N

Technology Process of 2-Propenenitrile, 3-(3-nitrophenyl)-

There total 8 articles about 2-Propenenitrile, 3-(3-nitrophenyl)- 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: 96.0%

: 645-00-1
m-iodonitrobenzene

: 107-13-1,25014-41-9
acrylonitrile

: 31145-08-1
trans-3-(3-nitrophenyl)acrylonitrile

Guidance literature:: With triethylamine; In water; N,N-dimethyl-formamide; at 130 ℃; for 3h;
DOI:10.1016/j.jpcs.2017.07.012

Reference yield: 94.0%

: 586-36-7
3-nitrophenyldiazonium tetrafluoroborate

: 107-13-1,25014-41-9
acrylonitrile

: 31145-08-1
trans-3-(3-nitrophenyl)acrylonitrile

Guidance literature:: With Triton X 100; In water; at 20 ℃; for 0.5h; stereoselective reaction; Green chemistry;
DOI:10.1016/j.tetlet.2020.151801

Reference yield: 55.0%

: 1504-76-3,56578-39-3
(E)-3-nitrocinnamaldehyde

: 31145-08-1
trans-3-(3-nitrophenyl)acrylonitrile

: 130973-09-0
(E)-3-(3-nitrophenyl)acrylamide

Guidance literature:: With N-hydroxyphthalimide; water; palladium diacetate; In acetonitrile; at 120 ℃; for 5h; Sealed tube;
DOI:10.1016/j.tetlet.2018.06.011