Basic information
- Name:
Quinoline,2-(chloromethyl)-6-methyl-
- Superlist Name:
- 2-(Chloromethyl)-6-methylquinoline
- CAS No.:
22989-38-4
- Molecular Structure:
- Formula:
- C11H10ClN
- Molecular Weight:
- 191.6568
- Density:
- 1.192 g/cm3
- Melting Point:
- 108-110 ℃
- Boiling Point:
- 307.174 °C at 760 mmHg
- Flash Point:
- 168.347 °C
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Specification
The Quinoline,2-(chloromethyl)-6-methyl-, CAS registry number is 22989-38-4. This chemical's molecular formula is C11H10ClN and molecular weight is 191.6568. What's more, its systematic name is 2-(Chloromethyl)-6-methylquinoline.
Physical properties about the Quinoline,2-(chloromethyl)-6-methyl- are: (1)ACD/LogP: 2.69; (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): 80; (6)ACD/BCF (pH 7.4): 81; (7)ACD/KOC (pH 5.5): 797; (8)ACD/KOC (pH 7.4): 807; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 56.777 cm3; (15)Molar Volume: 160.743 cm3; (16)Surface Tension: 45.793 dyne/cm; (17)Density: 1.192 g/cm3; (18)Flash Point: 168.347 °C; (19)Enthalpy of Vaporization: 52.588 kJ/mol; (20)Boiling Point: 307.174 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cc1ccc2nc(ccc2c1)CCl
(2) InChI: InChI=1/C11H10ClN/c1-8-2-5-11-9(6-8)3-4-10(7-12)13-11/h2-6H,7H2,1H3
(3) InChIKey: CSLGYHQUXRUXPX-UHFFFAOYAQ