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Basic Information
CAS No.: 290-96-0
Name: s-tetrazine
Article Data: 15
Molecular Structure:
Molecular Structure of 290-96-0 (s-tetrazine)
Formula: C2H2N4
Molecular Weight: 82.0647
Synonyms: sym-Tetrazine;s-Tetrazine(6CI,8CI);
Density: 1.316 g/cm3
Melting Point: 99°C
Boiling Point: 217.7 °C at 760 mmHg
Flash Point: 108.1 °C
PSA: 51.56000
LogP: -0.73340
Synthetic route
3473-63-0

formamidine acetic acid

290-96-0

s-Tetrazine

Conditions
ConditionsYield
With hydrazine hydrate; acetic acid; sodium nitrite In methanol 60 min, 0-10 deg C, 1 h, 10 deg C, 1 h, r.t.;26%
Stage #1: formamidine acetic acid With hydrazine hydrate at 0℃; for 1h;
Stage #2: With acetic acid; sodium nitrite at 0℃; for 3.5h;
12%
Yield given. Multistep reaction;
Stage #1: formamidine acetic acid With hydrazine hydrate at 20℃; Cooling with ice;
Stage #2: With acetic acid; sodium nitrite at 5℃; for 1h;
Stage #3: With sodium hydrogencarbonate In dichloromethane; water
Stage #1: formamidine acetic acid With hydrazine hydrate at 20℃; Cooling with ice;
Stage #2: With acetic acid; sodium nitrite at 5℃; for 1h;
463-52-5

formamidine

290-96-0

s-Tetrazine

Conditions
ConditionsYield
With hydrazine hydrate; acetic acid; sodium nitrite In methanol at 0℃; for 2.5h; Inert atmosphere;5%
1.2.4.5-tetrazine-dicarboxylic acid-(3.6)

1.2.4.5-tetrazine-dicarboxylic acid-(3.6)

290-96-0

s-Tetrazine

Conditions
ConditionsYield
at 160℃;
hydrazoformaldehyde dihydrazone

hydrazoformaldehyde dihydrazone

290-96-0

s-Tetrazine

Conditions
ConditionsYield
With acetic acid; sodium nitrite
61626-05-9

1,4-Dihydro-1,2,4,5-tetrazine

290-96-0

s-Tetrazine

Conditions
ConditionsYield
With sodium nitrite In acetic acid
With acetic acid; sodium nitrite at -18 - 15℃;15 g
64392-62-7

formamidinium acetate

290-96-0

s-Tetrazine

Conditions
ConditionsYield
Stage #1: formamidinium acetate With hydrazine hydrate at 20℃; for 1h;
Stage #2: With sodium nitrite In acetic acid at 0℃; for 1.5h; Further stages.;
290-96-0

s-Tetrazine

(S)-2-(2'-methoxyethenyl)-piperidine-1-carboxylic acid tert-butyl ester

(S)-2-(pyridazine-4'-yl)-piperidine-1-carboxylic acid tert-butyl ester

Conditions
ConditionsYield
In chloroform for 30h; Heating;95%
290-96-0

s-Tetrazine

38199-00-7

6,7-dimethoxynaphthalene-1,4-dione

6,7-dimethoxy-2,3-diaza-9,10-anthraquinone

Conditions
ConditionsYield
With α,α,α-trifluorotoluene; C18H18B2N2 at 110℃; for 20h; Diels-Alder Cycloaddition; Inert atmosphere;95%
290-96-0

s-Tetrazine

1066-54-2

trimethylsilylacetylene

4-Trimethylsilanyl-pyridazine

Conditions
ConditionsYield
In acetonitrile at 80℃; for 2h;94%
290-96-0

s-Tetrazine

106-51-4

p-benzoquinone

5,8-dihydroxyphthalazine

Conditions
ConditionsYield
With 5,10-dimethyl-5,10-dihydroboranthrene pyridazine at 55 - 110℃; Inert atmosphere; Schlenk technique; Sealed tube;94%
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  • 1,2,4,5-Tetrazine CAS NO.290-96-0

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    1,2,4,5-Tetrazine CAS NO.290-96-0

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  • 1,2,4,5-Tetrazine

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  • 1,2,4,5-Tetrazine

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    290-96-0

    1,2,4,5-Tetrazine

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Specification

The 1,2,4,5-Tetrazine, with the CAS registry number 290-96-0, is also known as sym-Tetrazine. This chemical's molecular formula is C2H2N4 and molecular weight is 82.0641. Its systematic name is called 1,2,4,5-tetrazine. This chemical's classification code is Mutation data.

Physical properties of 1,2,4,5-Tetrazine: (1)ACD/LogP: -1.96; (2)ACD/LogD (pH 5.5): -1.96; (3)ACD/LogD (pH 7.4): -1.96; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.03; (7)ACD/KOC (pH 7.4): 2.03; (8)#H bond acceptors: 4; (9)Index of Refraction: 1.509; (10)Molar Refractivity: 18.61 cm3; (11)Molar Volume: 62.3 cm3; (12)Surface Tension: 75.7 dyne/cm; (13)Density: 1.316 g/cm3; (14)Flash Point: 108.1 °C; (15)Enthalpy of Vaporization: 43.56 kJ/mol; (16)Boiling Point: 217.7 °C at 760 mmHg; (17)Vapour Pressure: 0.192 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ncnnc1
(2)InChI: InChI=1/C2H2N4/c1-3-5-2-6-4-1/h1-2H
(3)InChIKey: HTJMXYRLEDBSLT-UHFFFAOYAH