(5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE

Base Information

Chemical Name:(5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE
CAS No.:95727-86-9
Molecular Formula:C7H3 F3 N2
Molecular Weight:172.109
Hs Code.:2933399090
European Community (EC) Number:676-285-6
DSSTox Substance ID:DTXSID80364197
Wikidata:Q72459278
Mol file:95727-86-9.mol

Synonyms:2-Cyano-5-trifluoromethylpyridine;5-Trifluoromethylpyridine-2-carbonitrile

Suppliers and Price of (5-TRIFLUOROMETHYL-PYRIDIN-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
5-(Trifluoromethyl)picolinonitrile
10 g
$ 165.00

SynQuest Laboratories
5-(Trifluoromethyl)pyridine-2-carbonitrile
1 g
$ 50.00

SynQuest Laboratories
5-(Trifluoromethyl)pyridine-2-carbonitrile
250 mg
$ 35.00

Medical Isotopes, Inc.
5-(Trifluoromethyl)picolinonitrile
50 g
$ 785.00

Matrix Scientific
2-Cyano-5-(trifluoromethyl)pyridine 98%
5g
$ 24.00

Matrix Scientific
2-Cyano-5-(trifluoromethyl)pyridine 98%
25g
$ 89.00

Matrix Scientific
2-Cyano-5-(trifluoromethyl)pyridine 98%
100g
$ 288.00

Labseeker
5-Trifluoromethyl-pyridine-2-carbonitrile 98
10g
$ 425.00

J&W Pharmlab
5-Trifluoromethyl-pyridine-2-carbonitrile 97%
100g
$ 288.00

J&W Pharmlab
5-Trifluoromethyl-pyridine-2-carbonitrile 97%
25g
$ 90.00

Total 73 raw suppliers

Chemical Property of (5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE

Chemical Property:

Vapor Pressure:0.0595mmHg at 25°C
Refractive Index:1.456
Boiling Point:232.3°Cat760mmHg
PKA:-2.75±0.10(Predicted)
Flash Point:94.3°C
PSA：36.68000
Density:1.37g/cm³
LogP:1.97208
Storage Temp.:under inert gas (nitrogen or Argon) at 2-8°C
Water Solubility.:Slightly soluble in water.
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:172.02483259
Heavy Atom Count:12
Complexity:202

Purity/Quality:

98%, ^*data from raw suppliers

5-(Trifluoromethyl)picolinonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T,Xi

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=NC=C1C(F)(F)F)C#N
Uses 5-(Trifluoromethyl)picolinonitrile is a reactant in the synthesis of s-tetrazines.

Technology Process of (5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-ACETONITRILE

There total 7 articles about (5-TRIFLUOROMETHYL-PYRIDIN-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: 72.0%

: 31224-82-5
5-(trifluoromethyl)pyridine-2-carbaldehyde

: 95727-86-9
2-cyano-5-trifluoro-methylpyridine

Guidance literature:: With HCl·DMPU; hydroxylamine hydrochloride; In acetonitrile; at 60 ℃;
DOI:10.1039/d0gc00757a

Reference yield: 65.0%

: 557-21-1
zinc(II) cyanide

: 52334-81-3
2-chloro-5-trifluoromethylpyridine

: 95727-86-9
2-cyano-5-trifluoro-methylpyridine

Guidance literature:: With C₁₂H₁₀N^(1-)*CH₃O₃S^(1-)*Pd⁽²⁺⁾*C₃₉H₃₂OP₂; In tetrahydrofuran; water; at 65 ℃; for 12h; Micellar solution;
DOI:10.1002/cctc.202001742

Reference yield: 37.0%

: 3796-23-4
3-(trifluoromethyl)pyridine

: 7677-24-9
trimethylsilyl cyanide

: 95727-86-9
2-cyano-5-trifluoro-methylpyridine

: 1214383-56-8
3-(trifluoromethyl)isonicotinonitrile

Guidance literature:: 3-(trifluoromethyl)pyridine; With trifluoromethylsulfonic anhydride; In chloroform; at 20 ℃; for 1h; Inert atmosphere; Sealed tube;

trimethylsilyl cyanide; In chloroform; at 60 ℃; for 3h; Inert atmosphere; Sealed tube;

With 4-methyl-morpholine; In chloroform; at 60 ℃; for 17h; Overall yield = 41 %; Inert atmosphere; Sealed tube;
DOI:10.1002/chem.201703931