16453-18-2

Basic information

• Product Name: 3,6-bis(trifluoromethyl)-1,2,4,5-tetrazinato
• CAS NO: 16453-18-2
• Molecular Formula: C₄F₆N₄
• Molecular Weight: 218.06
• Mol File: 16453-18-2.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 131.7°C at 760 mmHg
• Flash Point: 33.4°C
• Density: 1.685g/cm³
• Vapor Pressure: 11.3mmHg at 25°C
• Refractive Index: 1.36
• CAS DataBase Reference: 3,6-bis(trifluoromethyl)-1,2,4,5-tetrazinato(CAS DataBase Reference)
• NIST Chemistry Reference: 3,6-bis(trifluoromethyl)-1,2,4,5-tetrazinato(16453-18-2)
• EPA Substance Registry System: 3,6-bis(trifluoromethyl)-1,2,4,5-tetrazinato(16453-18-2)

Safety Data

• Hazardous Substances Data: 16453-18-2(Hazardous Substances Data)

Upstream product

• 67096-88-2 1,2-dihydro-3,6-bis(trifluoromethyl)-1,2,4,5-tetrazine 

Downstream Products

• 137233-24-0 3,5-Bis(trifluormethyl)-4-tropilidenylidenamino-1,2,4-triazol 
• 137233-26-2 4-Benzylidenamino-3,5-bis(trifluormethyl)-1,2,4-triazol 
• 137233-25-1 1-<1'-<(1''-Dimethylamino-2'',2'',2''-trifluorethyliden)hydazono>-2',2',2'-trifluorethyl>-3a,7a-dihydro-1H-indazol 
• 81303-93-7 (3,5-Bis-trifluoromethyl-1H-pyrazol-4-yl)-[1-phenyl-meth-(E)-ylidene]-amine 
• 127817-78-1 (2S)-Benzyl-5,8-bis(trifluormethyl)-1,2-dihydro-3-ethoxy-pyrazino<2,3-d>pyridazin 
• 135127-43-4 4-Methoxy-4-phenyl-3,5-bis-trifluoromethyl-4H-pyrazole 
• 93041-19-1 4-Phenyl-3,5-bis-trifluoromethyl-1H-pyrazole 
• 93041-17-9 1,4-Bis-trifluoromethyl-2,3-diaza-benzo[a]anthracene 
• 100330-23-2 1,4-bis(trifluoromethyl)phthalazine 
• 107175-60-0 6-Dimethylamino-1,4-bis(trifluormethyl)phthalazin 
• 143171-31-7 E-1,2-Bis<3,6-bis(trifluormethyl)pyridazin-4-yl>ethen 
• 143171-37-3 2-(Dimethylamino)-α,α,α-trifluor-N-(2,2,2-trifluorethyliden)acetophenonhydrazon 
• 137233-22-8 4-phenyl-3,6-bis(trifluoromethyl)pyridazine 

Relevant articles and documents

Inverse electron demand Diels-Alder reactions of psoralens. Synthesis and mass spectra of novel pyridazinocoumarins

Diels-Alder reactions between the furan double bond of 8-methoxypsoralen and 1,2,4,5-tetrazine or 3,6-bistrifluoromethyl-1,2,4,5-tetrazine were accompanied by the release of diatomic nitrogen and the opening of the furan ring to leave a 6-pyridazinocoumarin. When 3,6-bis(methoxycarbonyl)-1,2,4,5-tetrazine was used as diene with 8-methoxy-, 5-methoxy- or 8-hydroxypsoralen as substrate a previously unknown heterocyclic framework was created. Formation of the fourth ring was accompanied by conversion of the furan ring to a pyrone, presumably by intramolecular transesterification with release of methanol. The characterization of the products of these reactions by exhaustive mass spectrometric analysis is discussed.