Basic information
- Name:
Quinoline,4-chloro-8-fluoro-2-methyl-
- CAS No.:
18615-59-3
- Molecular Structure:
- Formula:
- C10H7ClFN
- Molecular Weight:
- 195.62
- Synonyms:
- Quinaldine,4-chloro-8-fluoro- (8CI);4-Chloro-8-fluoro-2-methylquinoline;
- Density:
- 1.311 g/cm3
- Boiling Point:
- 269.859 °C at 760 mmHg
- Flash Point:
- 117.007 °C
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Specification
This chemical is called Quinoline, 4-chloro-8-fluoro-2-methyl-, and its systematic name is 4-Chloro-8-fluoro-2-methylquinoline. With the molecular formula of C10H7ClFN, its CAS registry number is 18615-59-3. It's stable at normal temperature and pressure. But it should be sealed in the cool and dry place, away from oxides.
Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 3.96; (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): 205; (6)ACD/BCF (pH 7.4): 205; (7)ACD/KOC (pH 5.5): 1573; (8)ACD/KOC (pH 7.4): 1573; (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: 1.612; (14)Molar Refractivity: 51.9 cm3; (15)Molar Volume: 149.209 cm3; (16)Polarizability: 20.575×10-24cm3; (17)Surface Tension: 44.739 dyne/cm; (18)Density: 1.311 g/cm3; (19)Flash Point: 117.007 °C; (20)Enthalpy of Vaporization: 48.755 kJ/mol; (21)Boiling Point: 269.859 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1cccc2c(Cl)cc(C)nc12
2.InChI: InChI=1/C10H7ClFN/c1-6-5-8(11)7-3-2-4-9(12)10(7)13-6/h2-5H,1H3
3.InChIKey: PKLIYBDVJXLAHP-UHFFFAOYAR