4-Methoxy-3-nitrobenzaldehyde

The CAS register number of 4-Methoxy-3-nitrobenzaldehyde is 31680-08-7. It also can be called as 3-nitro-4-anisaldehyde and the systematic name about this chemical is 4-methoxy-3-nitrobenzaldehyde. The molecular formula about this chemical is C₃H₇NO₄ and the molecular weight is 181.15. It belongs to the following product categories which include Aromatic Aldehydes & Derivatives (substituted); Aldehydes; Phenyls & Phenyl-Het; Benzaldehyde; Phenyls & Phenyl-Het; C8; Carbonyl Compounds and so on.

Physical properties about 4-Methoxy-3-nitrobenzaldehyde are: (1)ACD/LogP: 1.68; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 72.12Ų; (5)Index of Refraction: 1.59; (6)Molar Refractivity: 46.22 cm³; (7)Molar Volume: 136.9 cm³; (8)Polarizability: 18.32x10^-24cm³; (9)Surface Tension: 50.1 dyne/cm; (10)Flash Point: 171 °C; (11)Enthalpy of Vaporization: 57.78 kJ/mol; (12)Boiling Point: 334.8 °C at 760 mmHg; (13)Vapour Pressure: 0.000125 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methoxy-benzaldehyde. This reaction will need reagent acetic acid and nitric acid.

Uses of 4-Methoxy-3-nitrobenzaldehyde: it can be used to produce 4-methoxy-3-nitrobenzaldehyde 2-benzimidazolylhydrazone with 2-hydrazino-1H-benzoimidazole at heating. This reaction will need reagent gl. acetic acid and solvent methanol with reaction time of 4 hours. The yield is about 80%.

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 protective clothing. 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)c1cc(ccc1OC)C=O
(2)InChI: InChI=1/C8H7NO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5H,1H3
(3)InChIKey: YTCRQCGRYCKYNO-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H7NO4/c1-13-8-3-2-6(5-10)4-7(8)9(11)12/h2-5H,1H3
(5)Std. InChIKey: YTCRQCGRYCKYNO-UHFFFAOYSA-N