Benzaldehyde, 3,4-diMethoxy-2-nitro-

The 3,4-Dimethoxy-2-nitro-benzaldehyde, with the CAS registry number 55149-84-3, is also known as Benzaldehyde, 3,4-dimethoxy-2-nitro-. This chemical's molecular formula is C₉H₉NO₅ and molecular weight is 211.05. What's more, its systematic name is called 3,4-Dimethoxy-2-nitrobenzaldehyde.

Physical properties about 3,4-Dimethoxy-2-nitro-benzaldehyde are: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.87; (6)ACD/BCF (pH 7.4): 15.87; (7)ACD/KOC (pH 5.5): 251.78; (8)ACD/KOC (pH 7.4): 251.78; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 81.35 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 52.9 cm³; (15)Molar Volume: 160.9 cm³; (16)Surface Tension: 46.8 dyne/cm; (17)Density: 1.312 g/cm³; (18)Flash Point: 193.7 °C; (19)Enthalpy of Vaporization: 63.91 kJ/mol; (20)Boiling Point: 389.7 °C at 760 mmHg; (21)Vapour Pressure: 2.79E-06 mmHg at 25 °C.

Preparation of 3,4-Dimethoxy-2-nitro-benzaldehyde: this chemical can be prepared by Sulfuric acid dimethyl ester with 4-Hydroxy-3-methoxy-2-nitro-benzaldehyde. This reaction needs reagent NaOH. The yield is 97%.

Uses of 3,4-Dimethoxy-2-nitro-benzaldehyde: it is used to produce other chemicals. For example, it can react with Nitroethane to get 1-(3,4-Dimethoxy-2-nitro-phenyl)-2-nitro-propan-1-ol. The reaction occurs with reagents potassium fluoride, 18-crown-6 and solvent propan-2-ol at temperature of 20 °C. The yield is 96 %.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1c(ccc(OC)c1OC)C=O
(2) InChI: InChI=1/C9H9NO5/c1-14-7-4-3-6(5-11)8(10(12)13)9(7)15-2/h3-5H,1-2H3
(3) InChIKey: VHXOKHNXAGVMJI-UHFFFAOYAP