2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile

Base Information Edit

Chemical Name:2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile
CAS No.:104960-49-8
Molecular Formula:C13H7 F3 N2 S
Molecular Weight:280.273
Hs Code.:2933399090
DSSTox Substance ID:DTXSID70349998
Wikidata:Q82125662
Mol file:104960-49-8.mol

Synonyms:104960-49-8;2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile;6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile;6-phenyl-2-thioxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinecarbonitrile;6-phenyl-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile;TimTec1_001170;2-Mercapto-6-phenyl-4-trifluoromethyl nicotinonitrile;3-Cyano-6-phenyl-4-(trifluoromethyl)pyridine-2-thiol;DTXSID70349998;HMS1537F04;6-phenyl-2-thioxo-4-(trifluoromethyl)hydropyridine-3-carbonitrile;MFCD02180674;STL323952;AKOS000268233;AKOS002169151;PS-7235;CS-0325361;FT-0612753;A801110;AE-848/32959007;2-Mercapto-6-phenyl-4-(trifluoromethyl)-nicotinonitrile;6-phenyl-2-thioxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile;6-phenyl-2-sulfanylidene-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile

Suppliers and Price of 2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile

Supply Marketing:Edit

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-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile
100mg
$ 90.00

SynQuest Laboratories
3-Cyano-6-phenyl-4-(trifluoromethyl)pyridine-2-thiol 97%
1 g
$ 76.00

SynQuest Laboratories
3-Cyano-6-phenyl-4-(trifluoromethyl)pyridine-2-thiol 97%
250 mg
$ 36.00

Matrix Scientific
2-Mercapto-6-phenyl-4-(trifluoromethyl)-nicotinonitrile
1g
$ 108.00

Crysdot
2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile 95+%
5g
$ 321.00

Apolloscientific
3-Cyano-6-phenyl-4-(trifluoromethyl)pyridine-2-thiol 97%
250mg
$ 58.00

Apolloscientific
3-Cyano-6-phenyl-4-(trifluoromethyl)pyridine-2-thiol 97%
1g
$ 174.00

American Custom Chemicals Corporation
2-MERCAPTO-6-PHENYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE 95.00%
1G
$ 708.48

American Custom Chemicals Corporation
2-MERCAPTO-6-PHENYL-4-(TRIFLUOROMETHYL)NICOTINONITRILE 95.00%
250MG
$ 632.80

Total 12 raw suppliers

Chemical Property of 2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile Edit

Chemical Property:

Vapor Pressure:0.000398mmHg at 25°C
Melting Point:181 °C
Refractive Index:1.607
Boiling Point:316.9°C at 760 mmHg
PKA:5.82±0.70(Predicted)
Flash Point:145.5°C
PSA：75.48000
Density:1.43g/cm³
LogP:3.92778
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:280.02820389
Heavy Atom Count:19
Complexity:502

Purity/Quality:

98%Min ^*data from raw suppliers

2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C(F)(F)F

Technology Process of 2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile

There total 5 articles about 2-Mercapto-6-phenyl-4-(trifluoromethyl)nicotinonitrile 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: 88.0%