2,6-Dinitrobenzaldehyde

This chemical is called 2,6-Dinitrobenzaldehyde, and it can also be named as Benzaldehyde, 2,6-dinitro-.With the CAS registry number of 606-31-5, its product categories are Aromatic Aldehydes & Derivatives (substituted); C7Alphabetic; D; DID-DIN; Aldehydes; C7; Carbonyl Compounds. In addition, this chemical should be stored at the temperature of 2-8 °C.

Other characteristics of the 2,6-Dinitrobenzaldehyde can be summarised as followings: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.22; (6)ACD/BCF (pH 7.4): 13.22; (7)ACD/KOC (pH 5.5): 220.92; (8)ACD/KOC (pH 7.4): 220.92; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 108.71 Å²; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 46.09 cm³; (15)Molar Volume: 124.7 cm³; (16)Polarizability: 18.27×10^-24cm³; (17)Surface Tension: 71.8 dyne/cm; (18)Density: 1.571 g/cm³; (19)Flash Point: 192.1 °C; (20)Enthalpy of Vaporization: 60.93 kJ/mol; (21)Boiling Point: 363.2 °C at 760 mmHg; (22)Vapour Pressure: 1.83E-05 mmHg at 25°C.

Uses of this chemical: The 2,6-dinitro-benzoic acid could be obtained by the reactant of 2,6-Dinitrobenzaldehyde. This reaction needs the reagent of KMnO₄, and the solvent of H₂O. The yield is 63.3 %. This reaction should be taken for 1 hour at the temperature of 60 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting 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-])c1cccc(c1C=O)[N+]([O-])=O
2.InChI: InChI=1/C7H4N2O5/c10-4-5-6(8(11)12)2-1-3-7(5)9(13)14/h1-4H
3.InChIKey: WHFZQNNDIJKLIO-UHFFFAOYAX