3-NITROBENZO[B]FURAN-5-OL

This chemical is called 5-Benzofuranol,3-nitro-, and its systematic name is 3-nitro-1-benzofuran-5-ol. With the molecular formula of C₈H₅NO₄, its molecular weight is 179.13. The CAS registry number of this chemical is 126318-27-2. 

Other characteristics of the 5-Benzofuranol,3-nitro- can be summarised as followings: (1)ACD/LogP: 1.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.66; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 10.76; (6)ACD/BCF (pH 7.4): 7.47; (7)ACD/KOC (pH 5.5): 190.37; (8)ACD/KOC (pH 7.4): 132.11; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.19 Ų; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 44.82 cm³; (15)Molar Volume: 116.6 cm³; (16)Polarizability: 17.76× 10^-24 cm³; (17)Surface Tension: 68.5 dyne/cm; (18)Density: 1.536 g/cm³; (19)Flash Point: 168.1 °C; (20)Enthalpy of Vaporization: 62.3 kJ/mol; (21)Boiling Point: 354.3 °C at 760 mmHg; (22)Vapour Pressure: 1.65E-05 mmHg at 25°C.

Production method of this chemical: The 5-Benzofuranol,3-nitro- could be obtained by the reactant of 1-Dimethylamino-2-nitroethen + [1,4]benzoquinone. This reaction needs the reagent of p-TsOH, and the solvent of acetic acid. The yield is 68%. In addition, this reaction should be taken for 1 hour at the temperature of 20 °C.



Uses of this chemical: The 5-Benzofuranol,3-nitro- could react with benzylamine, and obtain the 2-(2-benzylamino-1-nitro-vinyl)-benzene-1,4-diol. This reaction needs the solvent of 1,2-dichloro-ethane. The yield is 100%.



You can still convert the following datas into molecular structure: 
1.SMILES: [O-][N+](=O)c1c2cc(O)ccc2oc1
2.InChI: InChI=1/C8H5NO4/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4,10H
3.InChIKey: ZQPBTBWGCWHIGU-UHFFFAOYAV
4.Std. InChI: InChI=1S/C8H5NO4/c10-5-1-2-8-6(3-5)7(4-13-8)9(11)12/h1-4,10H
5.Std. InChIKey: ZQPBTBWGCWHIGU-UHFFFAOYSA-N