2-(3-Nitropyridin-2-yl)acetonitrile

Base Information

Chemical Name:2-(3-Nitropyridin-2-yl)acetonitrile
CAS No.:123846-65-1
Molecular Formula:C7H5N3O2
Molecular Weight:163.136
Hs Code.:2933399090
DSSTox Substance ID:DTXSID20457173
Nikkaji Number:J2.654.723G
Wikidata:Q82279918

Synonyms:2-(3-nitropyridin-2-yl)acetonitrile;123846-65-1;(3-Nitro-pyridin-2-yl)-acetonitrile;MFCD11848723;SCHEMBL3894902;(3-nitro-2-pyridyl)acetonitrile;DTXSID20457173;ADKRHEANEZONBA-UHFFFAOYSA-N;YEA84665;2-(3-Nitro-2-pyridyl)acetonitrile;AKOS005217354;AKOS015831315;SB32104;(3-NITROPYRIDIN-2-YL)ACETO-NITRILE;CS-0008634;EN300-130912

Suppliers and Price of 2-(3-Nitropyridin-2-yl)acetonitrile

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
2-(3-Nitropyridin-2-yl)acetonitrile
50mg
$ 90.00

SynChem
(3-Nitro-pyridin-2-yl)-acetonitrile 95%
5 g
$ 645.00

SynChem
(3-Nitro-pyridin-2-yl)-acetonitrile 95%
1 g
$ 215.00

Labseeker
2-(3-nitropyridin-2-yl)acetonitrile 95
25g
$ 2658.00

Labseeker
2-(3-nitropyridin-2-yl)acetonitrile 95
10g
$ 2108.00

Labseeker
2-(3-nitropyridin-2-yl)acetonitrile 95
5g
$ 1417.00

J&W Pharmlab
(3-Nitro-pyridin-2-yl)-acetonitrile 97%
1g
$ 998.00

J&W Pharmlab
(3-Nitro-pyridin-2-yl)-acetonitrile 97%
5g
$ 3998.00

J&W Pharmlab
(3-Nitro-pyridin-2-yl)-acetonitrile 97%
100mg
$ 212.00

J&W Pharmlab
(3-Nitro-pyridin-2-yl)-acetonitrile 97%
50mg
$ 156.00

Total 7 raw suppliers

Chemical Property of 2-(3-Nitropyridin-2-yl)acetonitrile

Chemical Property:

Melting Point:106-108 °C
Boiling Point:309.0±27.0 °C(Predicted)
PKA:-0.86±0.22(Predicted)
PSA：82.50000
Density:1.351±0.06 g/cm3(Predicted)
LogP:1.57908
Storage Temp.:2-8°C
XLogP3:0.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:163.038176411
Heavy Atom Count:12
Complexity:214

Purity/Quality:

95+% ^*data from raw suppliers

2-(3-Nitropyridin-2-yl)acetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 2-(3-Nitropyridin-2-yl)acetonitrile

There total 5 articles about 2-(3-Nitropyridin-2-yl)acetonitrile 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: 80.0%

: 313366-96-0
ethyl (3-nitro-1,2-dihydro-2-pyridylidene)cyanoacetate

: 123846-65-1
2-(3-nitropyridin-2-yl)acetonitrile

Guidance literature:: With hydrogenchloride; In water; for 1h; Heating;
DOI:10.1023/A:1013237222718

Reference yield:

: 123846-70-8
Cyano-(3-nitro-pyridin-2-yl)-acetic acid tert-butyl ester

: 123846-65-1
2-(3-nitropyridin-2-yl)acetonitrile

Guidance literature:: With toluene-4-sulfonic acid; In toluene; for 2h; Yield given; Heating;
DOI:10.1055/s-1989-27239

Reference yield:

: 5470-18-8,34515-82-7
2-Chloro-3-nitropyridine

: 123846-65-1
2-(3-nitropyridin-2-yl)acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / NaOH / dimethylformamide / 1 h / 10 - 25 °C

2: 80 percent / hydrochloric acid / H₂O / 1 h / Heating

With hydrogenchloride; sodium hydroxide; In water; N,N-dimethyl-formamide;
DOI:10.1023/A:1013237222718