4-BROMO-2,5-DIFLUORONITROBENZENE

The Benzene,1-bromo-2,5-difluoro-4-nitro-, with CAS registry number 167415-27-2, has the systematic name of 1-bromo-2,5-difluoro-4-nitrobenzene. Besides this, it is also called 4-Bromo-2,5-difluoronitrobenzene. And the chemical formula of this chemical is C₆H₂BrF₂NO₂.

Physical properties of Benzene,1-bromo-2,5-difluoro-4-nitro-: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 28.36; (6)ACD/BCF (pH 7.4): 28.36; (7)ACD/KOC (pH 5.5): 381.52; (8)ACD/KOC (pH 7.4): 381.52; (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: 1.556; (14)Molar Refractivity: 40.47 cm³; (15)Molar Volume: 125.8 cm³; (16)Polarizability: 16.04×10^-24cm³; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.89 g/cm³; (19)Flash Point: 112.5 °C; (20)Enthalpy of Vaporization: 48 kJ/mol; (21)Boiling Point: 262.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0178 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-bromo-1,4-difluoro-benzene. This reaction will need reagent conc. H₂SO₄, KNO₃. The yield is about 89%.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1-bromo-2,5-difluoro-4-nitro- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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: Fc1cc([N+]([O-])=O)c(F)cc1Br
(2)InChI: InChI=1/C6H2BrF2NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
(3)InChIKey: GJFYMYJYPARISZ-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C6H2BrF2NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H
(5)Std. InChIKey: GJFYMYJYPARISZ-UHFFFAOYSA-N