4-Cyanopyridine

Base Information

Chemical Name:4-Cyanopyridine
CAS No.:100-48-1
Molecular Formula:C6H4N2
Molecular Weight:104.111
Hs Code.:2933.33
European Community (EC) Number:202-856-2
NSC Number:60681
UNII:BY3226D010
DSSTox Substance ID:DTXSID9041528
Nikkaji Number:J39.102F
Wikidata:Q27274960
Metabolomics Workbench ID:67546
ChEMBL ID:CHEMBL504918
Mol file:100-48-1.mol

Synonyms:4-cyanopyridine

Suppliers and Price of 4-Cyanopyridine

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
4-Cyanopyridine
50g
$ 85.00

TCI Chemical
4-Cyanopyridine >98.0%(GC)(T)
100g
$ 34.00

TCI Chemical
4-Cyanopyridine >98.0%(GC)(T)
25g
$ 13.00

TCI Chemical
4-Cyanopyridine >98.0%(GC)(T)
500g
$ 99.00

SynQuest Laboratories
4-Cyanopyridine 95%
500 g
$ 96.00

SynQuest Laboratories
4-Cyanopyridine 95%
100 g
$ 56.00

Sigma-Aldrich
4-Pyridinecarbonitrile 98%
100g
$ 19.80

Medical Isotopes, Inc.
4-Cyanopyridine 98%
100 g
$ 580.00

Matrix Scientific
Pyridine-4-carbonitrile 95%+
1g
$ 101.00

Matrix Scientific
Pyridine-4-carbonitrile 95%+
2.500g
$ 215.00

Total 175 raw suppliers

Chemical Property of 4-Cyanopyridine

Chemical Property:

Appearance/Colour:beige solid
Vapor Pressure:0.401mmHg at 25°C
Melting Point:76-79 °C(lit.)
Refractive Index:1.539
Boiling Point:196.3 °C at 760 mmHg
PKA:pK1:1.90(+1) (25°C)
Flash Point:82.7 °C
PSA：36.68000
Density:1.12 g/cm³
LogP:0.95328
Storage Temp.:Store below +30°C.
Solubility.:40g/l
Water Solubility.:3.2 g/100ml (16.4 ºC)
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:104.037448136
Heavy Atom Count:8
Complexity:105

Purity/Quality:

98% ^*data from raw suppliers

4-Cyanopyridine ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22
Safety Statements: 36/37-24/25

MSDS Files:: SDS file from LookChem

Useful:

Chemical Classes:Nitrogen Compounds -> Nitriles
Canonical SMILES:C1=CN=CC=C1C#N
Uses 4-Cyanopyridine is used as an intermediate in organic synthesis and pharmaceutical substances like isonicotinylhydrazide, which is used in the treatment of tuberculosis. It is used as a precursor for the preparation of isonicotinic acid and 4-diemthylaminopyridine (DMAP). It is involved in the synthesis of 6-methyl-2-pyridin-4-yl-pyrimidin-4-ylamine by reacting with acetonitrile.

Technology Process of 4-Cyanopyridine

There total 136 articles about 4-Cyanopyridine 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: 49.0%

: 14906-59-3
4-cyanopyridine N-oxide

: 16420-13-6
N,N-Dimethylthiocarbamoyl chloride

: 100-48-1
pyridine-4-carbonitrile

: C₉H₉N₃OS

Guidance literature:: In acetonitrile; at 81 ℃; for 4h;
DOI:10.1002/jhet.5570440236

Reference yield:

: 4-cyano-1-(4-nitro-phenoxythiocarbonyl)-pyridinium; chloride

: 100-48-1
pyridine-4-carbonitrile

: 100-02-7,78813-13-5,89830-32-0
4-nitro-phenol

: 463-58-1
carbon oxide sulfide

Guidance literature:: With phosphate buffer; potassium chloride; In water; at 25 ℃; pH=6.5; Further Variations:; pH-values; Kinetics;
DOI:10.1021/jo049559y

Reference yield:

: 126527-31-9
(E)-4-pyridinecarboxaldehyde O-methyloxime

: 100-48-1
pyridine-4-carbonitrile

Guidance literature:: With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; Ru(CO)(PPh₃)3H₂; In toluene; for 24h; Heating;
DOI:10.1016/j.tetlet.2007.09.028