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| CAS No.: | 488834-75-9 |
|---|---|
| Name: | (6-Hydroxymethyl)quinoxaline |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H8N2O |
| Molecular Weight: | 160.175 |
| Synonyms: | (Quinoxalin-6-yl)methanol; |
| Density: | 1.293 g/cm3 |
| Boiling Point: | 340.7 °C at 760 mmHg |
| Flash Point: | 159.9 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 46.01000 |
| LogP: | 1.12210 |
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Specification
The (6-Hydroxymethyl)quinoxaline, with the CAS registry number of 488834-75-9, is also known as (Quinoxalin-6-yl)methanol. It belongs to the product categories of Building Blocks; Quinoxaline. This chemical's molecular formula is C9H8N2O and molecular weight is 160.17. What's more, its IUPAC name is Quinoxalin-6-ylmethanol.
Physical properties about the (6-Hydroxymethyl)quinoxaline are: (1)ACD/LogP: 0.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 35.01 Å2; (7)Index of Refraction: 1.678; (8)Molar Refractivity: 46.72 cm3; (9)Molar Volume: 123.8 cm3; (10)Surface Tension: 66 dyne/cm; (11)Density: 1.293 g/cm3; (12)Flash Point: 159.9 °C; (13)Enthalpy of Vaporization: 61.67 kJ/mol; (14)Boiling Point: 340.7 °C at 760 mmHg; (15)Vapour Pressure: 3.26E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: n1c2ccc(cc2ncc1)CO
(2) InChI: InChI=1/C9H8N2O/c12-6-7-1-2-8-9(5-7)11-4-3-10-8/h1-5,12H,6H2
(3) InChIKey: PNAADFVYDHLFHT-UHFFFAOYAM