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| CAS No.: | 63450-30-6 |
|---|---|
| Name: | 2-Methoxy-3-methylpyrazine |
| Molecular Structure: | |
|
|
|
| Formula: | C6H8N2O |
| Molecular Weight: | 124.14052 |
| Synonyms: | Methoxymethylpyrazine; |
| EINECS: | 264-168-9 |
| Density: | 1.08 g/cm3 |
| Boiling Point: | 159.3 °C at 760 mmHg |
| Flash Point: | 55.6 °C |
| Solubility: | insoluble |
| Appearance: | clear colourless to slightly yellow liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-39 |
| Transport Information: | UN 1993 |
| PSA: | 105.03000 |
| LogP: | 2.38080 |
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Specification
The Pyrazine,methoxymethyl-, with the CAS registry number 63450-30-6, is also known as Methoxymethylpyrazine. Its EINECS registry number is 264-168-9. This chemical's molecular formula is C6H8N2O and molecular weight is 124.14. Its systematic name is called 2-methoxy-3-methylpyrazine. This chemical is clear colourless to slightly yellow liquid. The product should be sealed and stored in cool and dry place.
Physical properties of Pyrazine,methoxymethyl-: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.91; (6)ACD/BCF (pH 7.4): 4.91; (7)ACD/KOC (pH 5.5): 108.73; (8)ACD/KOC (pH 7.4): 108.73; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.496; (13)Molar Refractivity: 33.93 cm3; (14)Molar Volume: 116.1 cm3; (15)Surface Tension: 38.7 dyne/cm; (16)Density: 1.068 g/cm3; (17)Flash Point: 55.6 °C; (18)Enthalpy of Vaporization: 37.96 kJ/mol; (19)Boiling Point: 159.3 °C at 760 mmHg; (20)Vapour Pressure: 3.27 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. In addition, it is irritating to respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c1nccnc1C)C
(2)InChI: InChI=1/C6H8N2O/c1-5-6(9-2)8-4-3-7-5/h3-4H,1-2H3
(3)InChIKey: VKJIAEQRKBQLLA-UHFFFAOYAT