2,4-DIBROMO-6-NITROPHENOL

The Phenol, 2, 4-dibromo-6-nitro-, with the CAS registry number 15969-09-2, is also known as 2-Nitro-4, 6-dibromophenol. This chemical's molecular formula is C₆H₃Br₂NO₃ and molecular weight is 296.9. What's more, its IUPAC name is 2, 4-Dibromo-6-nitrophenol.

Physical properties about Phenol, 2, 4-dibromo-6-nitro- are: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 0.57; (5)ACD/BCF (pH 5.5): 16.96; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 135.24; (8)ACD/KOC (pH 7.4): 2.87; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å²; (13)Index of Refraction: 1.682; (14)Molar Refractivity: 50.06 cm³; (15)Molar Volume: 132 cm³; (16)Surface Tension: 67.6 dyne/cm; (17)Density: 2.247 g/cm³; (18)Flash Point: 113.9 °C; (19)Enthalpy of Vaporization: 52.28 kJ/mol; (20)Boiling Point: 264.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00585 mmHg at 25 °C.

Preparation of Phenol, 2, 4-dibromo-6-nitro-: this chemical is prepared by 2-Nitro-phenol. This reaction needs reagents Benzyltrimethylammonium tribromide, Polymer-bound, CaCO₃. Meanwhile, it needs solvents CH₂Cl₂, Methanol. The yield is about 97 %.

Uses of Phenol, 2, 4-dibromo-6-nitro-: it is used to produce other chemicals. For example, it is used to produce (3, 5-²H₂)-2-Hydroxyaniline. This reaction needs reagents D₂, Sodium acetate. Meanwhile, it needs catalyst 10 % Pd-C and solvents D₂O, Ethanol-d1. The reaction time is 1 hour. The yield is about 64 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(Br)cc([N+]([O-])=O)c1O
(2) InChI: InChI=1/C6H3Br2NO3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H
(3) InChIKey: INIXUZNHFXUIMA-UHFFFAOYAU