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Cas Database |
| Name |
1,2,4,5-Tetrazine |
EINECS | N/A |
| CAS No. | 290-96-0 | Density | 1.316 g/cm3 |
| PSA | 51.56000 | LogP | -0.73340 |
| Solubility | N/A | Melting Point |
99°C |
| Formula | C2H2N4 | Boiling Point | 217.7 °C at 760 mmHg |
| Molecular Weight | 82.0647 | Flash Point | 108.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
sym-Tetrazine;s-Tetrazine(6CI,8CI); |
Article Data | 15 |
1,2,4,5-Tetrazine Synthetic route
| Conditions | Yield |
|---|---|
| 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; |
| Conditions | Yield |
|---|---|
| With hydrazine hydrate; acetic acid; sodium nitrite In methanol at 0℃; for 2.5h; Inert atmosphere; | 5% |
- 290-96-0
s-Tetrazine
| Conditions | Yield |
|---|---|
| at 160℃; |
- 290-96-0
s-Tetrazine
| Conditions | Yield |
|---|---|
| With acetic acid; sodium nitrite |
- 61626-05-9
1,4-Dihydro-1,2,4,5-tetrazine
- 290-96-0
s-Tetrazine
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| In chloroform for 30h; Heating; | 95% |
- 290-96-0
s-Tetrazine
- 38199-00-7
6,7-dimethoxynaphthalene-1,4-dione
| Conditions | Yield |
|---|---|
| With α,α,α-trifluorotoluene; C18H18B2N2 at 110℃; for 20h; Diels-Alder Cycloaddition; Inert atmosphere; | 95% |
| Conditions | Yield |
|---|---|
| In acetonitrile at 80℃; for 2h; | 94% |
| Conditions | Yield |
|---|---|
| With 5,10-dimethyl-5,10-dihydroboranthrene pyridazine at 55 - 110℃; Inert atmosphere; Schlenk technique; Sealed tube; | 94% |
1,2,4,5-Tetrazine 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
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