N-METHYL-2-NITRO-4-(TRIFLUOROMETHYL)ANILINE

The Benzenamine,N-methyl-2-nitro-4-(trifluoromethyl)-, with the CAS registry number 20200-22-0, is also known as Methyl-(2-nitro-4-trifluoromethyl-phenyl)-amine. It belongs to the product categories of Amines; Blocks; Fluoro Compounds; Nitro Compounds. Its EINECS registry number is 243-586-5. This chemical's molecular formula is C₈H₇F₃N₂O₂ and molecular weight is 220.15. What's more, both its IUPAC name and systematic name are the same which is called N-Methyl-2-nitro-4-(trifluoromethyl)aniline.

Physical properties about Benzenamine,N-methyl-2-nitro-4-(trifluoromethyl)- are: (1) ACD/LogP: 3.29; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.29; (4) ACD/LogD (pH 7.4): 3.29; (5) ACD/BCF (pH 5.5): 186.94; (6) ACD/BCF (pH 7.4): 186.94; (7) ACD/KOC (pH 5.5): 1471.27; (8) ACD/KOC (pH 7.4): 1471.27; (9) #H bond acceptors: 4; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 49.06 Å²; (13)Index of Refraction: 1.526; (14) Molar Refractivity: 47.38 cm³; (15) Molar Volume: 154.2 cm³; (16) Surface Tension: 36.3 dyne/cm; (17) Density: 1.427 g/cm³; (18) Flash Point: 112.3 °C; (19) Enthalpy of Vaporization: 49.99 kJ/mol; (20) Boiling Point: 262.1 °C at 760 mmHg; (21) Vapour Pressure: 0.0111 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. In addition, it is harmful by inhalation, in contact with skin and if swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting 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: FC(F)(F)c1ccc(NC)c([N+]([O-])=O)c1
(2) InChI: InChI=1/C8H7F3N2O2/c1-12-6-3-2-5(8(9,10)11)4-7(6)13(14)15/h2-4,12H,1H3
(3) InChIKey: WNTLWKOCTHOISL-UHFFFAOYAJ