2,4-DIMETHYL-5-NITROBENZOTRIFLUORIDE

The Benzene,1,5-dimethyl-2-nitro-4-(trifluoromethyl)-, with the CAS registry number 261945-82-8, is also known as 2,4-Dimethyl-5-nitrobenzotrifluoride. This chemical's molecular formula is C₉H₈F₃NO₂ and molecular weight is 219.16. What's more, its systematic name is 1,5-Dimethyl-2-nitro-4-(trifluoromethyl)benzene.

Physical properties about Benzene,1,5-dimethyl-2-nitro-4-(trifluoromethyl) are: (1)ACD/LogP: 3.54; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.54; (4)ACD/LogD (pH 7.4): 3.54; (5)ACD/BCF (pH 5.5): 288.76; (6)ACD/BCF (pH 7.4): 288.76; (7)ACD/KOC (pH 5.5): 2008.45; (8)ACD/KOC (pH 7.4): 2008.45; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 47.42 cm³; (15)Molar Volume: 167.3 cm³; (16)Polarizability: 18.8×10^-24cm³; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 1.309 g/cm³; (19)Flash Point: 96.7 °C; (20)Enthalpy of Vaporization: 45.38 kJ/mol; (21)Boiling Point: 236.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0736 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. It is harmful by inhalation, in contact with skin. It is harmful if it is swallowed. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And 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)c1cc(c(cc1C)C)[N+]([O-])=O
(2) InChI: InChI=1/C9H8F3NO2/c1-5-3-6(2)8(13(14)15)4-7(5)9(10,11)12/h3-4H,1-2H3
(3) InChIKey: HMRYPTHOPWUPOB-UHFFFAOYAX