4-Chloro-7-(trifluoromethyl)quinoline

The 4-Chloro-7-(trifluoromethyl)quinoline, with its CAS registry number 346-55-4, is a kind of white to light yellow crystal powder. And its product categories are including Quinoline&Isoquinoline; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Quinolines; QuinolinesHeterocyclic Building Blocks.

The physical properties of this chemical are as below: (1)ACD/LogP: 4.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.544; (4)ACD/LogD (pH 7.4): 4.544; (5)ACD/BCF (pH 5.5): 1672.142; (6)ACD/BCF (pH 7.4): 1672.221; (7)ACD/KOC (pH 5.5): 7060.101; (8)ACD/KOC (pH 7.4): 7060.434; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 52.062 cm³; (15)Molar Volume: 162.234 cm³; (16)Polarizability: 20.639×10^-24 cm³; (17)Surface Tension: 36.342 dyne/cm; (18)Density: 1.428 g/cm³; (19)Flash Point: 114.377 °C; (20)Enthalpy of Vaporization: 48.314 kJ/mol; (21)Boiling Point: 265.51 °C at 760 mmHg; (22)Vapour Pressure: 0.015 mmHg at 25°C; (23)Exact Mass: 231.006261; (24)MonoIsotopic Mass: 231.006261; (25)Topological Polar Surface Area: 12.9; (26)Heavy Atom Count: 15 0; (27)Complexity: 231.

Use of this chemical: 4-Chloro-7-(trifluoromethyl)quinoline could react to produce 4-azido-7-trifluoromethylquinoline. This reaction could happen in the presence of the reagent of NaN₃ and the solvent of ethanol and H₂O, and it reacts in the condition of heating.

Production method of this chemical: N-(2-acetyl-5-trifluoromethyl-phenyl)-formamide could react with dichloromethyl-dimethyl-amine to produce 4-Chloro-7-(trifluoromethyl)quinoline. This reaction could happen in the presence of the solvent of acetonitrile in the temperature of 0 - 23 ℃ with the yield of 70%.

When you are dealing with this chemical, you should be cautious. For one thing, it is irritating to eyes, respiratory system and skin and then may cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health. And it will be dangerous if by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable gloves and eye/face protection and avoid contacting with skin and eyes. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

Additionally, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC2=C(C=CN=C2C=C1C(F)(F)F)Cl
(2)InChI: InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-5-6(10(12,13)14)1-2-7(8)9/h1-5H
(3)InChIKey: LLRQVSZVVAKRJA-UHFFFAOYSA-N