3,3-Bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2,2-dicarbonitrile

Base Information

Chemical Name:3,3-Bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2,2-dicarbonitrile
CAS No.:3289-22-3
Molecular Formula:C₁₁H₆F₆N₂
Molecular Weight:280.172
Hs Code.:2926909090
DSSTox Substance ID:DTXSID5058276
Mol file:3289-22-3.mol

Synonyms:3289-22-3;3,3-bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2,2-dicarbonitrile;DTXSID5058276;SCHEMBL10758820;SVUFHPXBRBWPIA-UHFFFAOYSA-N;Bicyclo[2.2.1]heptane-2,2-dicarbonitrile, 3,3-bis(trifluoromethyl)-, (1S,4R)-

Suppliers and Price of 3,3-Bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2,2-dicarbonitrile

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
Flucybene
2.5mg
$ 275.00

TRC
Flucybene
1mg
$ 135.00

Total 6 raw suppliers

Chemical Property of 3,3-Bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2,2-dicarbonitrile

Chemical Property:

Melting Point:182-183 °C(Solv: carbon tetrachloride (56-23-5))
Boiling Point:301.3±42.0 °C(Predicted)
PSA：47.58000
Density:1.49±0.1 g/cm3(Predicted)
LogP:3.56086
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:0
Exact Mass:280.04351717
Heavy Atom Count:19
Complexity:507

Purity/Quality:

95 % (HPLC). ^*data from raw suppliers

Flucybene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T+
Statements: 28
Safety Statements: 53-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1C2C=CC1C(C2(C#N)C#N)(C(F)(F)F)C(F)(F)F
Uses Flucybene is a potent and non-competitive GABA antagonist at convulsant site; Insectides.

Technology Process of 3,3-Bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2,2-dicarbonitrile

There total 1 articles about 3,3-Bis(trifluoromethyl)bicyclo[2.2.1]hept-5-ene-2,2-dicarbonitrile 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: 83.0%

: 1113-69-5
1,1-dicyano-2,2-bis(trifluoromethyl)ethene

: 542-92-7,25568-84-7,7313-32-8
cyclopenta-1,3-diene

: 3289-22-3
3,3-bis(trifluoromethyl)bicyclo<2.2.1>hept-5-ene-2,2-dicarbonitrile

Guidance literature:: In pentane; at 20 ℃;
DOI:10.1016/S0022-1139(00)82232-0

Reference yield: 76.0%

: 3289-22-3
3,3-bis(trifluoromethyl)bicyclo<2.2.1>hept-5-ene-2,2-dicarbonitrile

: 82947-63-5
3,3-bis(trifluoromethyl)bicyclo<2.2.1>heptane-2,2-dicarbonitrile

Guidance literature:: With hydrogen; platinum(IV) oxide; In ethanol; for 0.5h; Pressure (range begins): 40 ;
DOI:10.1016/S0022-1139(00)82232-0