5-Methyl-2-nitrobenzyl alcohol

The 5-Methyl-2-nitrobenzyl alcohol is an organic compound with the formula C₈H₉NO₃. The systematic name of this chemical is (5-methyl-2-nitrophenyl)methanol. With the CAS registry number 66424-92-8, it is also named as benzenemethanol, 5-methyl-2-nitro-. The product's categories are Alcohols; C7 to C8; Oxygen Compounds. Besides, it should be stored in a closed cool and dry place.

Physical properties about 5-Methyl-2-nitrobenzyl alcohol are: (1)ACD/LogP: 1.23 ; (2)ACD/LogD (pH 5.5): 1.22; (3)ACD/LogD (pH 7.4): 1.22; (4)ACD/BCF (pH 5.5): 5.02; (5)ACD/BCF (pH 7.4): 5.02; (6)ACD/KOC (pH 5.5): 110.47; (7)ACD/KOC (pH 7.4): 110.47; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.05 Å²; (12)Index of Refraction: 1.585; (13)Molar Refractivity: 44.07 cm³; (14)Molar Volume: 131.3 cm³; (15)Polarizability: 17.47×10^-24cm³; (16)Surface Tension: 52.6 dyne/cm; (17)Density: 1.272 g/cm³; (18)Flash Point: 141.4 °C; (19)Enthalpy of Vaporization: 58.72 kJ/mol; (20)Boiling Point: 314.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000191 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-(5-methyl-2-nitro-benzyloxy)-tetrahydro-pyran. This reaction will need reagent H₂SO₄, SiO₂ and solvent methanol. The reaction time is 10 min by heating. The yield is about 85%.

Uses of 5-Methyl-2-nitrobenzyl alcohol: it can be used to produce 5-methyl-2-nitro-benzaldehyde. It will need reagent pyridinium chlorochromate. The yield is about 96%.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1CO)C
(2)InChI: InChI=1/C8H9NO3/c1-6-2-3-8(9(11)12)7(4-6)5-10/h2-4,10H,5H2,1H3
(3)InChIKey: IKEYTRGLCHZQHO-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H9NO3/c1-6-2-3-8(9(11)12)7(4-6)5-10/h2-4,10H,5H2,1H3
(5)Std. InChIKey: IKEYTRGLCHZQHO-UHFFFAOYSA-N