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| CAS No.: | 4177-16-6 |
|---|---|
| Name: | 2-VINYLPYRAZINE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C6H6N2 |
| Molecular Weight: | 106.127 |
| Synonyms: | Pyrazine,ethenyl- (9CI);2-Vinylpyrazine;Pyrazine, vinyl- (7CI,8CI);2-Ethenylpyrazine;Vinylpyrazine; |
| EINECS: | 224-045-2 |
| Density: | 1.042 g/cm3 |
| Boiling Point: | 159 °C at 760 mmHg |
| Flash Point: | 58.4 °C |
| Solubility: | Slightly soluble in methanol, water. |
| Appearance: | straw to dark brown liquid |
| Hazard Symbols: | R10:Flammable.; |
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 25.78000 |
| LogP: | 1.11960 |
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Specification
The IUPAC name of 2-Vinyl pyrazine is 2-ethenylpyrazine. With the CAS registry number 4177-16-6, it is also named as Pyrazine, ethenyl-. The product's categories are Pharmacetical; Pyrazines, Pyrimidines & Pyridazines; Mono- & Polyalkylpyrazines; Pyrazines; Pyrazines, Pyrimidines & Pyridazines. Besides, it is straw to dark brown liquid, which should be stored in freezer. This chemical is flammable. so please keep away from sources of ignition when you are using it. In addition, its molecular formula is C6H6N2 and molecular weight is 106.12.
The other characteristics of this product can be summarized as: (1)EINECS: 224-045-2; (2)ACD/LogP: 0.58; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.58; (5)ACD/LogD (pH 7.4): 0.58; (6)ACD/BCF (pH 5.5): 1.63; (7)ACD/BCF (pH 7.4): 1.63; (8)ACD/KOC (pH 5.5): 49.44; (9)ACD/KOC (pH 7.4): 49.44; (10)#H bond acceptors: 2; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Polar Surface Area: 25.78 Å2; (14)Index of Refraction: 1.568; (15)Molar Refractivity: 33.35 cm3; (16)Molar Volume: 101.8 cm3; (17)Polarizability: 13.22×10-24cm3; (18)Surface Tension: 42.8 dyne/cm; (19)Density: 1.042 g/cm3; (20)Flash Point: 58.4 °C; (21)Enthalpy of Vaporization: 37.93 kJ/mol; (22)Boiling Point: 159 °C at 760 mmHg; (23)Vapour Pressure: 3.32 mmHg at 25 °C.
Uses of 2-Vinyl pyrazine: it can react with phenylboronic acid to get phenethyl-pyrazine.
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This reaction needs [Rh(COD)Cl]2, TPPDS, aq. Na2CO3 and SDS at temperature of 80 °C for 15 hours. The yield is 84 %.
People can use the following data to convert to the molecule structure.
(1)SMILES: n1ccnc(\C=C)c1
(2)InChI: InChI=1/C6H6N2/c1-2-6-5-7-3-4-8-6/h2-5H,1H2
(3)InChIKey: KANZWHBYRHQMKZ-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H6N2/c1-2-6-5-7-3-4-8-6/h2-5H,1H2
(5)Std. InChIKey: KANZWHBYRHQMKZ-UHFFFAOYSA-N