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| CAS No.: | 4965-34-8 |
|---|---|
| Name: | 7-Bromo-2-methylquinoline |
| Molecular Structure: | |
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| Formula: | C10H8BrN |
| Molecular Weight: | 222.084 |
| Synonyms: | Quinoline, 7-bromo-2-methyl-; |
| EINECS: | -0 |
| Density: | 1.488 g/cm3 |
| Melting Point: | 77-79 °C |
| Boiling Point: | 299.68 °C at 760 mmHg |
| Flash Point: | 135.042 °C |
| Risk Codes: | 41 |
| Safety: | 26-39 |
| PSA: | 12.89000 |
| LogP: | 3.30570 |
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Specification
The 7-Bromo-2-methylquinoline, with the CAS registry number 4965-34-8, is also known as Quinoline, 7-bromo-2-methyl-. This chemical's molecular formula is C10H8BrN and molecular weight is 222.0812. What's more, its systematic name is called 7-Bromo-2-methylquinoline.
Physical properties about 7-Bromo-2-methylquinoline are: (1) ACD/LogP: 3.52; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 1; (4) #H bond donors: 0; (5) #Freely Rotating Bonds: 0; (6) Polar Surface Area: 12.89 Å2; (7) Index of Refraction: 1.654; (8) Molar Refractivity: 54.702 cm3; (9) Molar Volume: 149.233 cm3; (10) Surface Tension: 48.29 dyne/cm; (11) Density: 1.488 g/cm3; (12) Flash Point: 135.042 °C; (13) Enthalpy of Vaporization: 51.811 kJ/mol; (14) Boiling Point: 299.68 °C at 760 mmHg; (15) Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc2nc(C)ccc2cc1
(2) InChI: InChI=1/C10H8BrN/c1-7-2-3-8-4-5-9(11)6-10(8)12-7/h2-6H,1H3
(3) InChIKey: VEKOCCXFMXGRTF-UHFFFAOYAY