Quinoline,6-fluoro-1,2,3,4-tetrahydro-2-methyl- (42835-89-2)

The 6-Fluoro-1,2,3,4-tetrahydro-2-methylquinoline with the CAS number 42835-89-2 is also called Quinoline,6-fluoro-1,2,3,4-tetrahydro-2-methyl-. Both the systematic name and IUPAC name are 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline. Its molecular formula is C₁₀H₁₂FN. The EINECS registry number is 255-963-1. This chemical belongs to the following product categories: (1)Halides; (2)Quinolines, Isoquinolines & Quinoxalines.

The properties of the chemical are: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.23; (5)ACD/BCF (pH 5.5): 110.83; (6)ACD/BCF (pH 7.4): 166.38; (7)ACD/KOC (pH 5.5): 899.96; (8)ACD/KOC (pH 7.4): 1351.05; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 46.47 cm³; (15)Molar Volume: 156.4 cm³; (16)Polarizability: 18.42×10^-24cm³; (17)Surface Tension: 32.1 dyne/cm; (18)Enthalpy of Vaporization: 49.2 kJ/mol; (19)Vapour Pressure: 0.0171 mmHg at 25°C.

Uses: This chemical can react with formic acid to prepare 6-fluoro-1-formyl-2-methyl-1,2,3,4-tetrahydroquinoline. This reaction needs reagent acetic anhydride at heating condition. The reaction time is 2.0 hours. The yield is 71%.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2c(c1)CCC(N2)C
(2)InChI: InChI=1/C10H12FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3H2,1H3
(3)InChIKey: BDCCXYVTXRUGAN-UHFFFAOYAB