3,6-DIPHENYL-1,2,4,5-TETRAZINE

CAS No.：6830-78-0

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3,6-DIPHENYL-1,2,4,5-TETRAZINE Basic information

Product Name:	3,6-DIPHENYL-1,2,4,5-TETRAZINE
Synonyms:	2,6-diphenyl-s-tetrazin;3,6-Diphenyl-1,2,4,5-tetraazine;3,6-Diphenyl-sym-tetrazine;3,6-Diphenyltetrazine;4,5-tetrazine,3,6-diphenyl-2;Diphenyl-s-tetrazine;s-Tetrazine, 3,6-diphenyl-;1,2,4,5-Tetrazine, 3,6-diphenyl-
CAS:	6830-78-0
MF:	C14H10N4
MW:	234.26
EINECS:
Product Categories:	Heterocyclic Building Blocks;N-Containing;Others
Mol File:	6830-78-0.mol

3,6-DIPHENYL-1,2,4,5-TETRAZINE Chemical Properties

Melting point	198 °C (dec.) (lit.)
Boiling point	446.0±28.0 °C(Predicted)
density	1.214±0.06 g/cm3(Predicted)
storage temp.	Hygroscopic, Refrigerator, under inert atmosphere
solubility	chloroform: soluble25mg/mL, clear, very dark red
pka	0.36±0.10(Predicted)
form	Solid
color	Dark Purple
Stability:	Hygroscopic

Safety Information

Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
WGK Germany	3
RTECS	XF6863300

MSDS Information

Provider	Language
SigmaAldrich	English

3,6-DIPHENYL-1,2,4,5-TETRAZINE Usage And Synthesis

Uses

3,6-Diphenyl-1,2,4,5-tetrazine may be used in the preparation of dihydropyridazine derivatives, via reaction with cis,cis-cycloocta-1,5-diene.

General Description

3,6-Diphenyl-1,2,4,5-tetrazine is an an electron-deficient heteroaromatic azadiene. It participates in inverse electron demand cycloaddition reactions with various dienophiles. It is reported to participate in facile inverse electron demand Diels-Alder reactions with “tunable” reaction rates. The electron transport characteristics of 3,6-diphenyl-1,2,4,5-tetrazine (DPT) single molecular conductor have been studied by density functional theory (DFT) method. Basicity of 3,6-diphenyl-1,2,4,5-tetrazine in aqueous solutions of sulfuric acid (pK_BH+) is -4.8. It undergoes thermal Diels-Alder reaction with C₆₀ to afford monoadducts, possessing a diaryldihydropyridazine function nested atop the fullerene.

3,6-DIPHENYL-1,2,4,5-TETRAZINE Preparation Products And Raw materials

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