Basic information
- Name:
Quinoline,4-bromo-8-methoxy-
- CAS No.:
103028-31-5
- Molecular Structure:
- Formula:
- C10H8BrNO
- Molecular Weight:
- 238.08
- Synonyms:
- 4-Bromo-8-methoxyquinoline;
- Density:
- 1.516 g/cm3
- Boiling Point:
- 336.9 °C at 760 mmHg
- Flash Point:
- 157.5 °C
- Hazard Symbols:
Xi
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Specification
The Quinoline, 4-bromo-8-methoxy-, with the CAS registry number 103028-31-5, is also known as 4-Bromo-8-methoxyquinoline. This chemical's molecular formula is C10H8BrNO and molecular weight is 238.08. What's more, its systematic name is 4-Bromo-8-methoxy-quinoline. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about Quinoline, 4-bromo-8-methoxy- are: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 22.12 Å2; (9)Index of Refraction: 1.64; (10)Molar Refractivity: 56.55 cm3; (11)Molar Volume: 156.9 cm3; (12)Polarizability: 22.42×10-24 cm3; (13)Surface Tension: 47.6 dyne/cm; (14)Density: 1.516 g/cm3; (15)Flash Point: 157.5 °C; (16)Enthalpy of Vaporization: 55.71 kJ/mol; (17)Boiling Point: 336.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000213 mmHg at 25 °C.
Preparation of Quinoline, 4-bromo-8-methoxy-: this chemical is prepared by 8-Methoxy-quinolin-4-ol by heating. The reaction needs reagent POBr3 and solvent CHCl3. The reaction time is 4 hours. The yield is about 87 %.
Uses of Quinoline, 4-bromo-8-methoxy-: it is used to produce other chemicals. For example, it is used to produce 4-Bromo-quinolin-8-ol. The reaction needs reagent 76 % H2SO4. The yield is about 92 %.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1cccc2c1nccc2Br
(2) InChI: InChI=1/C10H8BrNO/c1-13-9-4-2-3-7-8(11)5-6-12-10(7)9/h2-6H,1H3
(3) InChIKey: ZTCUNVSNCQDTQR-UHFFFAOYAR