1-(2-Nitrophenyl)-1,2-ethanediol

The CAS register number of 1-(2-Nitrophenyl)-1,2-ethanediol is 51673-59-7. It also can be called as 1,2-Ethanediol,1-(2-nitrophenyl)- and the systematic name about this chemical is 1-(2-nitrophenyl)ethane-1,2-diol. The molecular formula about this chemical is C₈H₉NO₄ and molecular weight is 183.16.

Physical properties about 1-(2-Nitrophenyl)-1,2-ethanediol are: (1)ACD/LogP: -0.23; (2)ACD/LogD (pH 5.5): -0.23; (3)ACD/LogD (pH 7.4): -0.23; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 17.77; (7)ACD/KOC (pH 7.4): 17.77; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 64.28Ų; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 45.42 cm³; (14)Molar Volume: 129.8 cm³; (15)Polarizability: 18x10^-24cm³; (16)Surface Tension: 66.9 dyne/cm; (17)Enthalpy of Vaporization: 68.48 kJ/mol; (18)Boiling Point: 398.7 °C at 760 mmHg; (19)Vapour Pressure: 4.51E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by (2-nitro-phenyl)-oxirane. This reaction will need reagent aq. K₂CO₃ and solvent dioxane.

Uses of 1-(2-Nitrophenyl)-1,2-ethanediol: it can be used to produce 4-(2-nitro-phenyl)-2,2-diphenyl-[1,3]dioxolane with benzophenone at heating//in the dark. This reaction will need reagent p-toluenesulfonic acid and solvent benzene with reaction time of 12 hours. The yield is about 94%.

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 suitable 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)c1ccccc1C(O)CO
(2)InChI: InChI=1/C8H9NO4/c10-5-8(11)6-3-1-2-4-7(6)9(12)13/h1-4,8,10-11H,5H2
(3)InChIKey: AYVFQXVSRJXIDT-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H9NO4/c10-5-8(11)6-3-1-2-4-7(6)9(12)13/h1-4,8,10-11H,5H2
(5)Std. InChIKey: AYVFQXVSRJXIDT-UHFFFAOYSA-N