3-BROMO-2-NITRO-BENZO[B]THIOPHENE

The Benzo[b]thiophene,3-bromo-2-nitro- is an organic compound with the formula C₈H₄BrNO₂S. The IUPAC name of this chemical is 3-Bromo-2-nitro-1-benzothiophene. With the CAS registry number 17402-78-7, it is also named as 3-Bromo-2-nitrobenzo[b]thiophene. Besides, its molecular weight is 258.09.

The physical properties of Benzo[b]thiophene,3-bromo-2-nitro- are: (1)ACD/LogP: 4.68; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 74.06 Å²; (5)Index of Refraction: 1.737; (6)Molar Refractivity: 56.71 cm³; (7)Molar Volume: 141 cm³; (8)Polarizability: 22.48×10^-24 cm³; (9)Surface Tension: 64.8 dyne/cm; (10)Density: 1.829 g/cm³; (11)Flash Point: 160.2 °C; (12)Enthalpy of Vaporization: 56.18 kJ/mol; (13)Boiling Point: 341.3 °C at 760 mmHg; (14)Vapour Pressure: 0.00016 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3-Bromo-benzo[b]thiophene. This reaction will need reagent HNO₃ and solvent acetic anhydride. The reaction time is 15 hours with reaction temperature of 20 - 30 °C. The yield is about 39%.

Uses of Benzo[b]thiophene,3-bromo-2-nitro-: it and 4-Trifluoromethyl-aniline can be used to produce (2-Nitrobenzo[b]thiophen-3-yl)(4-trifluoromethylphenyl)amine. The reaction time is 15 min. The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c2sc1ccccc1c2Br
(2)InChI: InChI=1/C8H4BrNO2S/c9-7-5-3-1-2-4-6(5)13-8(7)10(11)12/h1-4H
(3)InChIKey: NEVPNAJUHZJMLO-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H4BrNO2S/c9-7-5-3-1-2-4-6(5)13-8(7)10(11)12/h1-4H
(5)Std. InChIKey: NEVPNAJUHZJMLO-UHFFFAOYSA-N