Chemical Properties of 2,4-Dinitrobenzene-sulfonic acid (CAS 89-02-1)

2,4-Dinitrobenzene-sulfonic acid

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InChI
InChI=1S/C6H4N2O7S/c9-7(10)4-1-2-6(16(13,14)15)5(3-4)8(11)12/h1-3H,(H,13,14,15)
InChI Key
OVOJUAKDTOOXRF-UHFFFAOYSA-N
Formula
C6H4N2O7S
SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)O)c([N+](=O)[O-])c1
Molecular Weight1
248.17
CAS
89-02-1
Other Names
  • 2,4-Dinitrobenzenesulfonic acid
  • 2,4-Dinitrobenzenesulphonic acid
  • Kyselina 2,4-dinitrobenzensulfonova
Sources

Physical Properties

Property Value Unit Source
Δf -441.47 kJ/mol Joback Calculated Property
Δfgas -580.68 kJ/mol Joback Calculated Property
Δfus 42.75 kJ/mol Joback Calculated Property
Δvap 101.05 kJ/mol Joback Calculated Property
logPoct/wat 0.75 Crippen Calculated Property
Pc 6696.65 kPa Joback Calculated Property
Tboil 816.96 K Joback Calculated Property
Tc 1059.01 K Joback Calculated Property
Tfus 595.44 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 363.89 J/mol×K 816.96 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 3
-NO2 2
=C< (ring) 3
-S- 1
=O 2
-OH (alcohol) 1

Similar Compounds

Benzenesulfonic acid, 2,4,6-trinitro-, nickel salt. 2-Nitrobenzenesulfonyl fluoride. Orizalyn. 2,4-Dinitro-1-thiocyanato-benzene. Aniline, 4-nitro-3-phenylsulfonyl-. 5-Nitro-o-toluene sulfonic acid. O-toluenesulfonic acid, 4-nitro-, sodium salt. N-benzoyl-4-nitro-3-phenylsulfonylaniline. Metanilic acid, n-(2,4-dinitrophenyl)-6-hydroxy-, sodium salt. 4,5-Dihydroxy-3-(p-nitrophenylazo)-2,7-naphthalenedisulfonic acid, disodium salt. 1,3,7,9-Tetranitrophenothiazine,5-oxide. Aniline-o-sulfonic acid. N-(4-Morpholin-4-yl-phenyl)-2-nitro-benzenesulfonamide, N-trimethylsilyl-. Benzenamine,4-methylsulfonyl-2,6-dinitro-n,n-dipropyl-. m-Nitrobenzensulfonic acid.

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