Basic information
- Name:
Quinoline,8-(iodomethyl)-
- CAS No.:
215606-70-5
- Molecular Structure:
- Formula:
- C10H8IN
- Molecular Weight:
- 269.08
- Synonyms:
- 8-(Iodomethyl)quinoline;
- Density:
- 1.771 g/cm3
- Boiling Point:
- 344.2 °C at 760 mmHg
- Flash Point:
- 162 °C
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Specification
The Quinoline,8-(iodomethyl)-, with the CAS registry number 215606-70-5. This chemical's molecular formula is C10H8IN and molecular weight is 269.08. What's more, its systematic name is 8-(Iodomethyl)quinoline.
Physical properties of Quinoline,8-(iodomethyl)- are: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.01; (4)ACD/LogD (pH 7.4): 3.02; (5)ACD/BCF (pH 5.5): 112.54; (6)ACD/BCF (pH 7.4): 116.16; (7)ACD/KOC (pH 5.5): 1013.83; (8)ACD/KOC (pH 7.4): 1046.46; (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: 1.721; (14)Molar Refractivity: 60.07 cm3; (15)Molar Volume: 151.9 cm3; (16)Polarizability: 23.81×10-24 cm3; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.771 g/cm3; (19)Flash Point: 162 °C; (20)Enthalpy of Vaporization: 56.49 kJ/mol; (21)Boiling Point: 344.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000133 mmHg at 25 °C.
Uses of Quinoline,8-(iodomethyl)-: it can be used to produce 3-(2,2-dimethyl-1-methylcarbamoyl-propylcarbamoyl)-5-methyl-2-(quinolin-8-ylmethoxy)-hexanoic acid tert-butyl ester at the temperature of 20 °C. It will need reagents N2-[3S-hydroxy-2R-isobutyl-4-tert-butyloxysuccinyl]-L-tert-leucine-N1-methylamide, NaH, NaI and solvent tetrahydrofuran. The yield is about 79%.
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You can still convert the following datas into molecular structure:
(1)SMILES: ICc1cccc2cccnc12
(2)InChI: InChI=1/C10H8IN/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1-6H,7H2
(3)InChIKey: RFYKJKSNQSDMNB-UHFFFAOYAK