1,3,5-Trifluoro-2-nitrobenzene

The CAS register number of 1,3,5-trifluoro-2-nitrobenzene is 315-14-0. It also can be called as 2,4,6-Trifluoronitrobenzene and the IUPAC name about this chemical is 1,3,5-trifluoro-2-nitrobenzene. The molecular formula about this chemical is C₆H₂F₃NO₂ and the molecular weight is 177.08. It belongs to the following product categories, such as Aromatic Hydrocarbons (substituted) & Derivatives; Miscellaneous and so on.

Physical properties about 1,3,5-trifluoro-2-nitrobenzene are: (1)ACD/LogP: 1.40; (2)ACD/LogD (pH 5.5): 1.4; (3)ACD/LogD (pH 7.4): 1.4; (4)ACD/BCF (pH 5.5): 6.78; (5)ACD/BCF (pH 7.4): 6.78; (6)ACD/KOC (pH 5.5): 136.92; (7)ACD/KOC (pH 7.4): 136.92; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 45.82Ų; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 32.77 cm³; (13)Molar Volume: 113.9 cm³; (14)Polarizability: 12.99x10^-24cm³; (15)Surface Tension: 38.7 dyne/cm; (16)Enthalpy of Vaporization: 40.25 kJ/mol; (17)Boiling Point: 183.5 °C at 760 mmHg; (18)Vapour Pressure: 1.05 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3,5-trifluoro-benzene. This reaction will need reagent sulfuric acid and concentrated aqueous nitric acid.

Uses of 1,3,5-trifluoro-2-nitrobenzene: it can be used to produce 1,3,5-trifluoro-2,4-dinitro-benzene at temperature of 50 - 70 ℃. This reaction will need reagent sulfuric acid and concentrated aqueous nitric acid.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c(F)cc(F)cc1F
(2)InChI: InChI=1/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
(3)InChIKey: PWRFDGYYJWQIAB-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(10(11)12)5(9)2-3/h1-2H
(5)Std. InChIKey: PWRFDGYYJWQIAB-UHFFFAOYSA-N