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| CAS No.: | 50488-44-3 |
|---|---|
| Name: | 4-Bromo-2-methylquinoline |
| Molecular Structure: | |
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| Formula: | C10H8BrN |
| Molecular Weight: | 222.084 |
| Synonyms: | 4-BROMO-2-METHYLQUINOLINE;2-Methyl-4-broMoquinoline;4-Bromoquinaldine |
| EINECS: | -0 |
| Density: | 1.488 g/cm3 |
| Boiling Point: | 300.661 °C at 760 mmHg |
| Flash Point: | 135.635 °C |
| PSA: | 12.89000 |
| LogP: | 3.30570 |
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Specification
The systematic name of this chemical is 4-Bromo-2-methylquinoline. It has CAS registry number 50488-44-3. In addition, this chemical's molecular formula is C10H8BrN and molecular weight is 222.08122.
Physical properties about the 4-Bromo-2-methylquinoline are: (1)ACD/LogP: 3.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 185; (6)ACD/BCF (pH 7.4): 195; (7)ACD/KOC (pH 5.5): 1442 ; (8)ACD/KOC (pH 7.4): 1515; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.654; (14)Molar Refractivity: 54.702 cm3; (15)Molar Volume: 149.233 cm3; (16)Surface Tension: 48.29 dyne/cm; (17)Density: 1.488 g/cm3; (18)Flash Point: 135.635 °C; (19)Enthalpy of Vaporization: 51.912 kJ/mol; (20)Boiling Point: 300.661 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(C)nc2ccccc12
(2) InChI: InChI=1/C10H8BrN/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-6H,1H3
(3) InChIKey: BGIRQGWGBRSRGK-UHFFFAOYAG