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CAS No.: | 3913-19-7 |
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Name: | 6-BROMO-2-CHLORO-4-METHYLQUINOLINE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C10H7BrClN |
Molecular Weight: | 256.50 |
Synonyms: | Lepidine,6-bromo-2-chloro- (7CI,8CI);6-Bromo-2-chloro-4-methylquinoline;quinoline, 6-bromo-2-chloro-4-methyl-; |
Density: | 1.591 g/cm3 |
Melting Point: | 140 °C |
Boiling Point: | 347.6 °C at 760 mmHg |
Flash Point: | 164 °C |
PSA: | 12.89000 |
LogP: | 3.95910 |
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The 6-Bromo-2-chloro-4-methylquinoline, with the CAS registry number 3913-19-7, is also called quinoline, 6-bromo-2-chloro-4-methyl-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C10H7BrClN.
The characteristics of 6-Bromo-2-chloro-4-methylquinoline are as followings: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.92; (4)ACD/LogD (pH 7.4): 3.92; (5)ACD/BCF (pH 5.5): 557.52; (6)ACD/BCF (pH 7.4): 557.53; (7)ACD/KOC (pH 5.5): 3216.46; (8)ACD/KOC (pH 7.4): 3216.47; (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: 1.661; (14)Molar Refractivity: 59.59 cm3; (15)Molar Volume: 161.1 cm3; (16)Polarizability: 23.62×10-24cm3; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.591 g/cm3; (19)Flash Point: 164 °C; (20)Enthalpy of Vaporization: 56.85 kJ/mol; (21)Boiling Point: 347.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000107 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccc2nc(Cl)cc(c2c1)C
(2)InChI: InChI=1/C10H7BrClN/c1-6-4-10(12)13-9-3-2-7(11)5-8(6)9/h2-5H,1H3
(3)InChIKey: NPDAQPXGOAYKAV-UHFFFAOYAZ