3,4-BIS(TRIFLUOROMETHYL)NITROBENZENE

The Benzene,4-nitro-1,2-bis(trifluoromethyl)-, with the CAS registry number 1978-20-7, is also known as 1,2-Bis(trifluoromethyl)-4-nitrobenzene. It belongs to the product categories of Benzene Series; Phenyls & Phenyl-Het; Phenyls & Phenyl-Het. This chemical's molecular formula is C₈H₃F₆NO₂ and molecular weight is 259.11. What's more, its systematic name is called 4-Nitro-1,2-bis(trifluoromethyl)benzene.

Physical properties about Benzene,4-nitro-1,2-bis(trifluoromethyl)- are: (1) ACD/LogP: 3.62; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.62; (4) ACD/LogD (pH 7.4): 3.62; (5) ACD/BCF (pH 5.5): 333.07; (6) ACD/BCF (pH 7.4): 333.07; (7) ACD/KOC (pH 5.5): 2224.49; (8) ACD/KOC (pH 7.4): 2224.49; (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: 1.421; (14) Molar Refractivity: 42.75 cm³; (15) Molar Volume: 168.2 cm³; (16) Surface Tension: 25.2 dyne/cm; (17) Density: 1.539 g/cm³; (18)Flash Point: 80 °C; (19) Enthalpy of Vaporization: 42.67 kJ/mol; (20) Boiling Point: 208.6 °C at 760 mmHg; (21) Vapour Pressure: 0.305 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 at low levels can cause damage to health. Therefore, you should wear suitable 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)c1cc(ccc1C(F)(F)F)[N+]([O-])=O
(2) InChI: InChI=1/C8H3F6NO2/c9-7(10,11)5-2-1-4(15(16)17)3-6(5)8(12,13)14/h1-3H
(3) InChIKey: QGNGVSKFAUEJDF-UHFFFAOYAZ