Chemical Properties of 3,5-Dinitrosalicylaldehyde (CAS 2460-59-5)

3,5-Dinitrosalicylaldehyde

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InChI
InChI=1S/C7H4N2O6/c10-3-4-1-5(8(12)13)2-6(7(4)11)9(14)15/h1-3,11H
InChI Key
FLJXIBHYDIMYRS-UHFFFAOYSA-N
Formula
C7H4N2O6
SMILES
O=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
Molecular Weight1
212.12
CAS
2460-59-5
Other Names
  • 3,5-Dinitro-2-hydroxybenzaldehyde
  • Benzaldehyde, 2-hydroxy-3,5-dinitro-
Sources

Physical Properties

Property Value Unit Source
Δf -81.83 kJ/mol Joback Calculated Property
Δfgas -258.63 kJ/mol Joback Calculated Property
Δfus 37.94 kJ/mol Joback Calculated Property
Δvap 87.69 kJ/mol Joback Calculated Property
logPoct/wat 1.021 Crippen Calculated Property
Pc 5552.58 kPa Joback Calculated Property
Tboil 829.16 K Joback Calculated Property
Tc 1106.41 K Joback Calculated Property
Tfus 661.05 K Joback Calculated Property
Vc 0.467 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 337.50 J/mol×K 829.16 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-OH (phenol) 1
=C< (ring) 4
-NO2 2
O=CH- (aldehyde) 1
=CH- (ring) 2

Similar Compounds

Phenol, 2-methyl-4,6-dinitro-. 3,5-Dinitrosalicylic acid. Benzaldehyde, 2-hydroxy-3-nitro-. Phenol, 2,4-dinitro-6-ethyl-. 3,5-Dinitrosalicylic acid, monosodium salt. O-cresol, 4,6-dinitro-, sodium salt. 2-Tert-butyl-4,6-dinitrophenol. 3,5-Dinitro-4-hydroxybenzaldehyde. Alpha-(dimethylamino)-4,6-dinitro-o-cresol. 2-Sec-butyl-4,6-dinitrophenol. Salicylic acid, 3-nitro. 5-Nitrosalicylaldehyde. Benzaldehyde, 5-bromo-2-hydroxy-3-nitro-. 4-Hydroxy-3-nitrobenzaldehyde. o-Cresol, 6-nitro-.

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