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2,6-Dinitrobenzaldehyde

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Name

2,6-Dinitrobenzaldehyde

EINECS 210-113-9
CAS No. 606-31-5 Density 1.571 g/cm3
PSA 108.71000 LogP 2.36190
Solubility N/A Melting Point 120-122 °C(lit.)
Formula C7H4N2O5 Boiling Point 363.2 °C at 760 mmHg
Molecular Weight 196.119 Flash Point 192.1 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 606-31-5 (2,6-Dinitrobenzaldehyde) Hazard Symbols IrritantXi
Synonyms

2,6-Dinitrobenzaldehyde;

Article Data 8

2,6-Dinitrobenzaldehyde Specification

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

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