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6-Bromo-2-chloro-4-methylquinoline

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Name

6-Bromo-2-chloro-4-methylquinoline

EINECS N/A
CAS No. 3913-19-7 Density 1.591 g/cm3
PSA 12.89000 LogP 3.95910
Solubility N/A Melting Point 140 °C
Formula C10H7BrClN Boiling Point 347.6 °C at 760 mmHg
Molecular Weight 256.50 Flash Point 164 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3913-19-7 (6-BROMO-2-CHLORO-4-METHYLQUINOLINE) Hazard Symbols N/A
Synonyms

Lepidine,6-bromo-2-chloro- (7CI,8CI);6-Bromo-2-chloro-4-methylquinoline;quinoline, 6-bromo-2-chloro-4-methyl-;

Article Data 10

6-Bromo-2-chloro-4-methylquinoline Specification

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

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