Chemical Properties of 3-Nitroalizarine (CAS 568-93-4)

3-Nitroalizarine

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InChI
InChI=1S/C14H7NO6/c16-11-6-3-1-2-4-7(6)12(17)10-8(11)5-9(15(20)21)13(18)14(10)19/h1-5,18-19H
InChI Key
XZSUEVFAMOKROK-UHFFFAOYSA-N
Formula
C14H7NO6
SMILES
O=C1c2ccccc2C(=O)c2c(O)c(O)c([N+](=O)[O-])cc21
Molecular Weight1
285.21
CAS
568-93-4
Other Names
  • 1,2-dihydroxy-3-nitroanthraquinone
Sources

Physical Properties

Property Value Unit Source
Δf -175.38 kJ/mol Joback Calculated Property
Δfgas -435.12 kJ/mol Joback Calculated Property
Δfus 40.04 kJ/mol Joback Calculated Property
Δvap 104.46 kJ/mol Joback Calculated Property
logPoct/wat 1.78 Crippen Calculated Property
Pc 4910.80 kPa Joback Calculated Property
Tboil 1043.88 K Joback Calculated Property
Tc 1339.00 K Joback Calculated Property
Tfus 867.13 K Joback Calculated Property
Vc 0.60 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 567.34 J/mol×K 1043.88 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 7
-NO2 1
>C=O (ring) 2
-OH (phenol) 2
=CH- (ring) 5

Similar Compounds

Anthraquinone, 1,8-dihydroxy-4,5-dinitro-. 1-Amino-4-hydroxy-2-phenoxy-9,10-anthraquinine. Anthraquinone, 1-amino-4-hydroxy-2-methoxy-. Chrysazin, 4-anilino-5-nitro. 9,10-Anthracenedione, 1-amino-4-hydroxy-. Alizarin. Obtusin, TMS. Chryso-obtusin, TMS. Obtusifolin, TMS. 9,10-Anthracenedione, 1,2,4-trihydroxy-. 9,10-Anthracenedione, 1,2,5,8-tetrahydroxy-. 1,4-Diamino-2-methoxyanthraquinone. 9,10-Anthracenedione, 3-methyl-1,6,8-tris[(trimethylsilyl)oxy]-. 1-Amino-2-methoxy-4-p-tolylsulfonamido-anthraquinone. Naloxone, bis(trimethylsilyl) ether.

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