2,4-DIAMINO-6-[3-(TRIFLUOROMETHYL)PHENYL]-1,3,5-TRIAZINE

The 1,3,5-Triazine-2,4-diamine,6-[3-(trifluoromethyl)phenyl]-, with the CAS registry number 30508-78-2, has the systematic name of 6-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine. It belongs to the following product categories: Heterocyclic Compounds; Building Blocks; Heterocyclic Building Blocks; Triazines. And the molecular formula of this chemical is C₁₀H₈F₃N₅.

The physical properties of 1,3,5-Triazine-2,4-diamine,6-[3-(trifluoromethyl)phenyl]- are as following: (1)ACD/LogP: 2.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.67; (5)ACD/BCF (pH 5.5): 62.12; (6)ACD/BCF (pH 7.4): 63.16; (7)ACD/KOC (pH 5.5): 665.52; (8)ACD/KOC (pH 7.4): 676.59; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.15 Å²; (13)Index of Refraction: 1.594; (14)Molar Refractivity: 58.57 cm³; (15)Molar Volume: 172.4 cm³; (16)Polarizability: 23.21×10^-24cm³; (17)Surface Tension: 56 dyne/cm; (18)Density: 1.479 g/cm³; (19)Flash Point: 242.9 °C; (20)Enthalpy of Vaporization: 74.2 kJ/mol; (21)Boiling Point: 478 °C at 760 mmHg; (22)Vapour Pressure: 2.67E-09 mmHg at 25°C.

Preparation of 1,3,5-Triazine-2,4-diamine,6-[3-(trifluoromethyl)phenyl]-: This chemical can be prepared by cyanoguanidine and 3-trifluoromethyl-benzonitrile. The reaction will need reagent KOH, and the solvent pentan-1-ol. The reaction time is 24 hours with temperature of 140°C, and the yield is about 53%. 

Use of 1,3,5-Triazine-2,4-diamine,6-[3-(trifluoromethyl)phenyl]-: It can react with isobutyryl chloride to produce N-[4-isobutyrylamino-6-(3-trifluoromethyl-phenyl)-[1,3,5]triazin-2-yl]-isobutyramide. This reaction will need reagent pyridine. The reaction time is 24 hours with temperature of 100°C, and the yield is about 33%.

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also toxic if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2cc(c1nc(nc(n1)N)N)ccc2
(2)InChI: InChI=1/C10H8F3N5/c11-10(12,13)6-3-1-2-5(4-6)7-16-8(14)18-9(15)17-7/h1-4H,(H4,14,15,16,17,18)
(3)InChIKey: YMIFDDZCSSDQHL-UHFFFAOYAC