5-Nitro-2-pyridineacetonitrile

Base Information

Chemical Name:5-Nitro-2-pyridineacetonitrile
CAS No.:123846-66-2
Molecular Formula:C7H5N3O2
Molecular Weight:163.136
Hs Code.:2933399090
DSSTox Substance ID:DTXSID60475851
Wikidata:Q72496024
Mol file:123846-66-2.mol

Synonyms:123846-66-2;5-NITRO-2-PYRIDINEACETONITRILE;2-(5-NITROPYRIDIN-2-YL)ACETONITRILE;2-(5-NITRO-2-PYRIDINYL)ACETONITRILE;2-Pyridineacetonitrile, 5-nitro-;MFCD09033814;(5-NITROPYRIDIN-2-YL)ACETONITRILE;SCHEMBL359255;DTXSID60475851;PHCKNSBYAFTJKZ-UHFFFAOYSA-N;(5-Nitro-pyridin-2-yl)-acetonitrile;2-CYANOMETHYL-5-NITROPYRIDINE;AKOS005259488;AB49407;AS-40106;SY011019;AM20050726;CS-0092651;FT-0688588;A21566;EN300-129333;J-517871;2-(5-nitropyridin-2-yl)acetonitrile;2-(5-Nitro-2-pyridinyl)acetonitrile

Suppliers and Price of 5-Nitro-2-pyridineacetonitrile

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-(5-Nitro-2-pyridinyl)acetonitrile
500mg
$ 155.00

SynChem
5-NITRO-2-PYRIDINEACETONITRILE 95+%
1 g
$ 150.00

SynChem
5-NITRO-2-PYRIDINEACETONITRILE 95+%
10 g
$ 690.00

SynChem
5-NITRO-2-PYRIDINEACETONITRILE 95+%
5 g
$ 390.00

Labseeker
(5-NITROPYRIDIN-2-YL)ACETONITRILE 95
5g
$ 815.00

Crysdot
5-Nitro-2-pyridineacetonitrile 95+%
5g
$ 355.00

Crysdot
5-Nitro-2-pyridineacetonitrile 95+%
10g
$ 624.00

Chemenu
5-Nitro-2-pyridineacetonitrile 95%
10g
$ 583.00

Chemenu
5-Nitro-2-pyridineacetonitrile 95%
5g
$ 332.00

Anichem
(5-nitropyridin-2-yl)acetonitrile >95%
5g
$ 330.00

Total 42 raw suppliers

Chemical Property of 5-Nitro-2-pyridineacetonitrile

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:66.0-66.5 °C
Refractive Index:1.583
Boiling Point:342.237 °C at 760 mmHg
PKA:-0.86±0.22(Predicted)
Flash Point:160.78 °C
PSA：82.50000
Density:1.352 g/cm³
LogP:1.57908
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
XLogP3:0.3
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:

99%, ^*data from raw suppliers

2-(5-Nitro-2-pyridinyl)acetonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 5-Nitro-2-pyridineacetonitrile

There total 7 articles about 5-Nitro-2-pyridineacetonitrile 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: 76.3%

: 914223-27-1
tert-butyl 2-cyano-2-(5-nitropyridin-2-yl)acetate

: 123846-66-2
2-(5-nitropyridin-2-yl)acetonitrile

Guidance literature:: With toluene-4-sulfonic acid; In toluene; for 2h; Reflux;

Reference yield: 66.0%

: 4548-45-2
2-chloro-5-nitropyridine

: 1116-98-9
cyanoacetic acid tert-butyl ester

: 123846-66-2
2-(5-nitropyridin-2-yl)acetonitrile

Guidance literature:: 2-chloro-5-nitropyridine; cyanoacetic acid tert-butyl ester; With potassium carbonate; In tetrahydrofuran; at 20 ℃; for 20h; Molecular sieve; Heating / reflux;

With toluene-4-sulfonic acid; In toluene; at 20 ℃; for 18h; Heating / reflux;

Reference yield:

: 4548-45-2
2-chloro-5-nitropyridine

: 123846-66-2
2-(5-nitropyridin-2-yl)acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: K₂CO₃ / tetrahydrofuran / 24 h / Heating

2: 4.95 g / p-TsOH / toluene / 2 h / Heating

With potassium carbonate; toluene-4-sulfonic acid; In tetrahydrofuran; toluene;
DOI:10.1023/A:1020629619982