2-TERT-BUTYLPYRAZINE

The Pyrazine,2-(1,1-dimethylethyl)-, with the CAS registry number 32741-11-0, is also known as (1,1-Dimethylethyl)pyrazine. Its EINECS number is 251-186-7. This chemical's molecular formula is C₈H₁₂N₂ and molecular weight is 136.19. What's more, its systematic name is 2-tert-butylpyrazine. It should be sealed and stored in a cool and dry place. What's more, it should be protected from oxides. It should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of Pyrazine,2-(1,1-dimethylethyl)- are: (1)ACD/LogP: 1.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/BCF (pH 5.5): 6.93; (5)ACD/KOC (pH 5.5): 139.14; (6)ACD/KOC (pH 7.4): 139.16; (7)#H bond acceptors: 2; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 25.78 Å²; (11)Index of Refraction: 1.484; (12)Molar Refractivity: 40.82 cm³; (13)Molar Volume: 142.5 cm³; (14)Polarizability: 16.18×10^-24cm³; (15)Surface Tension: 33.7 dyne/cm; (16)Density: 0.955 g/cm³; (17)Flash Point: 66.6 °C; (18)Enthalpy of Vaporization: 39.91 kJ/mol; (19)Boiling Point: 179.9 °C at 760 mmHg; (20)Vapour Pressure: 1.25 mmHg at 25°C.

Preparation: this chemical can be prepared by pyrazine, oxalic acid mono-tert-butyl ester by heating. This reaction will need reagents H₂SO₄, Na₂S₂O₈, AgNO₃ and solvents CH₂Cl₂, H₂O with the reaction time of 2 hours. The yield is about 86%.

When you are using this chemical, please be cautious about it as the following:
It is irritating 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 using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)C1=NC=CN=C1
(2)InChI: InChI=1S/C8H12N2/c1-8(2,3)7-6-9-4-5-10-7/h4-6H,1-3H3
(3)InChIKey: YNQZVOWNJKASKQ-UHFFFAOYSA-N