Basic information
- Name:
Quinoline, 8-(chloromethyl)-
- CAS No.:
94127-04-5
- Molecular Structure:
- Formula:
- C10H8ClN
- Molecular Weight:
- 177.6302
- Synonyms:
- 8-(Chloromethyl)quinoline;
- Density:
- 1.23 g/cm3
- Boiling Point:
- 310.579 °C at 760 mmHg
- Flash Point:
- 170.617 °C
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Specification
The Quinoline, 8-(chloromethyl)-, with the CAS registry number 94127-04-5, is also known as 8-Chloromethylquinoline. This chemical's molecular formula is C10H8ClN and molecular weight is 177.6302. What's more, its systematic name is 8-(Chloromethyl)quinoline.
Physical properties about Quinoline, 8-(chloromethyl)- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 35; (6)ACD/BCF (pH 7.4): 36; (7)ACD/KOC (pH 5.5): 439; (8)ACD/KOC (pH 7.4): 454; (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: 1.638; (14)Molar Refractivity: 51.952 cm3; (15)Molar Volume: 144.468 cm3; (16)Polarizability: 20.595×10-24 cm3; (17)Surface Tension: 48.124 dyne/cm; (18)Density: 1.23 g/cm3; (19)Flash Point: 170.617 °C; (20)Enthalpy of Vaporization: 52.943 kJ/mol; (21)Boiling Point: 310.579 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCc1cccc2cccnc12
(2) InChI: InChI=1/C10H8ClN/c11-7-9-4-1-3-8-5-2-6-12-10(8)9/h1-6H,7H2
(3) InChIKey: BKDZLPUEWDNSGH-UHFFFAOYAT