2,5-Bis(trifluoromethyl)nitrobenzene

The Benzene,2-nitro-1,4-bis(trifluoromethyl)-, with the CAS registry number 320-88-7, is also known as 2-Nitro-1,4-bis(trifluoromethyl)benzene. This chemical's molecular formula is C₈H₃F₆NO₂ and formula weight is 259.11. What's more, its IUPAC name is 2-nitro-1,4-bis(trifluoromethyl)benzene.

Physical properties of Benzene,2-nitro-1,4-bis(trifluoromethyl)- are: (1)ACD/LogP: 3.72; (2)ACD/LogD (pH 5.5): 3.72; (3)ACD/BCF (pH 5.5): 395.57; (4)ACD/KOC (pH 5.5): 2515.93; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 45.82 Å²; (9)Index of Refraction: 1.421; (10)Molar Refractivity: 42.75 cm³; (11)Molar Volume: 168.2 cm³; (12)Surface Tension: 25.2 dyne/cm; (13)Density: 1.539 g/cm³; (14)Flash Point: 80.5 °C; (15)Enthalpy of Vaporization: 42.76 kJ/mol; (16)Boiling Point: 209.5 °C at 760 mmHg; (17)Vapour Pressure: 0.292 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-2-nitro-4-trifluoromethyl-benzene at the temperature of 98°C. This reaction will need reagent Cu, charcoal and solvent N,N-dimethyl-acetamide with the reaction time of 2 hours. The yield is about 98%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C(F)(F)F
(2)InChI: InChI=1S/C8H3F6NO2/c9-7(10,11)4-1-2-5(8(12,13)14)6(3-4)15(16)17/h1-3H
(3)InChIKey: BZKVUOHHNCMTLH-UHFFFAOYSA-N