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CAS No.: | 53364-85-5 |
---|---|
Name: | 6-BROMO-4-CHLORO-2-METHYLQUINOLINE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C10H7BrClN |
Molecular Weight: | 256.529 |
Synonyms: | Quinaldine,6-bromo-4-chloro- (4CI);6-Bromo-4-chloro-2-methylquinoline; |
Density: | 1.591 g/cm3 |
Melting Point: | 75 °C |
Boiling Point: | 321.9 °C at 760 mmHg |
Flash Point: | 148.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 25-41 |
Safety: | 26-39-45 |
PSA: | 12.89000 |
LogP: | 3.95910 |
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This chemical has the systematic name 6-Bromo-4-chloro-2-methylquinoline. With the CAS registry number of 53364-85-5, it's also named as quinoline, 6-bromo-4-chloro-2-methyl-. Its molecular formula is C10H7BrClN and its molecular weight is 256.53.
Physical properties about 6-Bromo-4-chloro-2-methylquinoline are: (1)ACD/LogP: 3.99; (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: 1.661; (8)Molar Refractivity: 59.59 cm3; (9)Molar Volume: 161.1 cm3; (10)Polarizability: 23.62×10-24cm3; (11)Surface Tension: 50.3 dyne/cm; (12)Density: 1.591 g/cm3; (13)Flash Point: 148.5 °C; (14)Enthalpy of Vaporization: 54.12 kJ/mol; (15)Boiling Point: 321.9 °C at 760 mmHg; (16)Vapour Pressure: 0.000546 mmHg at 25°C.
Uses of . This reaction needs the reagent of conc. H2SO4, HNO3. The yield is 51 %. In addition, this reaction should be taken for 3 hours at the temperature of -5-20 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2nc(cc(Cl)c2c1)C;
(2)InChI: InChI=1/C10H7BrClN/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3;
(3)InChIKey: OCNREXWJWVKEEB-UHFFFAOYAD;
(4)Std. InChI: InChI=1S/C10H7BrClN/c1-6-4-9(12)8-5-7(11)2-3-10(8)13-6/h2-5H,1H3;
(5)Std. InChIKey: OCNREXWJWVKEEB-UHFFFAOYSA-N