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1671-87-0

Basic Information
CAS No.: 1671-87-0
Name: 3,6-DI-2-PYRIDYL-1,2,4,5-TETRAZINE
Article Data: 14
Molecular Structure:
Molecular Structure of 1671-87-0 (3,6-DI-2-PYRIDYL-1,2,4,5-TETRAZINE)
Formula: C12H8 N6
Molecular Weight: 236.236
Synonyms: s-Tetrazine,3,6-di-2-pyridyl- (7CI,8CI);s-Tetrazine, di-2-pyridyl- (6CI);3,6-(2-Pyridinyl)-1,2,4,5-tetrazine;3,6-Bis(2-pyridinyl)-1,2,4,5-tetrazine;3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine;3,6-Bis(2-pyridyl)-s-tetrazine;3,6-Di-2-pyridinyl-1,2,4,5-tetrazine;3,6-Di-2-pyridyl-1,2,4,5-tetrazine;3,6-Di-2-pyridyl-s-tetrazine;Bptz;NSC 238155;
Density: 1.317g/cm3
Melting Point: 225 °C (dec.)(lit.)
Boiling Point: 509.1°Cat760mmHg
Flash Point: 245.7°C
Solubility: Slightly soluble in water.
Hazard Symbols:
Risk Codes: 36/37/38
Safety:
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36
WGK Germany 3
PSA: 77.34000
LogP: 1.39060
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    3,6-Di-2-pyridyl-1,2,4,5-tetrazine

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Specification

The 3,6-Di(2-pyridyl)-1,2,4,5-tetrazine with the cas registry number of 1671-87-0 belongs to the product categories of Heterocyclic Compounds; Heterocyclic Building Blocks and N-Containing. This chemical is also known as 3,6-Bis(2-pyridyl)-1,2,4,5-tetrazine and 3,6-Di-2-pyridyl-s-tetrazine. Its IUPAC name and systematic name are the same which is called 3,6-Dipyridin-2-yl-1,2,4,5-tetrazine.

Physical properties about this chemical are: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 77.34 Å2; (5)Index of Refraction: 1.632; (6)Molar Refractivity: 63.98 cm3; (7)Molar Volume: 179.3 cm3; (8)Surface Tension: 70 dyne/cm; (9)Density: 1.317 g/cm3; (10)Flash Point: 245.7 °C; (11)Enthalpy of Vaporization: 75 kJ/mol; (12)Boiling Point: 509.1 °C at 760 mmHg; (13)Vapour Pressure: 5.59E-10 mmHg at 25°C; (14)Melting Point: 225 ºC.

Uses of 3,6-Di(2-pyridyl)-1,2,4,5-tetrazine: 4-Cyclohex-1-enyl-morpholine and 3,6-Di-pyridin-2-yl-[1,2,4,5]tetrazine can be used to produce 4alpha,5,6,7,8,8alpha-Hexahydro-4alpha-morpholino-1,4-di(2-pyridyl)phthalazine at ambient temperature. This reaction use acetonitrile as the dissolvant. The yield is about 93%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It may irritate to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When you want to contact it, you must be wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=NC(=C1)C2=NN=C(N=N2)C3=CC=CC=N3;
(2)InChI: InChI=1S/C12H8N6/c1-3-7-13-9(5-1)11-15-17-12(18-16-11)10-6-2-4-8-14-10/h1-8H;
(3)InChIKey: JFBIRMIEJBPDTQ-UHFFFAOYSA-N