Chemical Properties of 1-Amino-4-bromo-2-anthraquinone sulfonic acid (CAS 116-81-4)

1-Amino-4-bromo-2-anthraquinone sulfonic acid

InChI
InChI=1S/C14H8BrNO5S/c15-8-5-9(22(19,20)21)12(16)11-10(8)13(17)6-3-1-2-4-7(6)14(11)18/h1-5H,16H2,(H,19,20,21)
InChI Key
QZZSAWGVHXXMID-UHFFFAOYSA-N
Formula
C14H8BrNO5S
SMILES
Nc1c(S(=O)(=O)O)cc(Br)c2c1C(=O)c1ccccc1C2=O
Molecular Weight1
382.19
CAS
116-81-4
Other Names
  • 1-amino-4-bromo-9,10-dioxoanthracene-2-sulphonic acid
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Physical Properties

Property Value Unit Source
ΔfusH° 42.28 kJ/mol Joback Calculated Property
logPoct/wat 2.053 Crippen Calculated Property
McVol 214.320 ml/mol McGowan Calculated Property
Tfus 594.59 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [285.51; 591.85] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A6.88600e+01
Coefficient B8.96590e-01
Coefficient C-3.78600e-04
Coefficient D5.00000e-09
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 285.51 J/mol×K 273.00 Calculated Property
Cp,gas 338.89 J/mol×K 353.78 Calculated Property
Cp,gas 387.39 J/mol×K 434.56 Calculated Property
Cp,gas 431.04 J/mol×K 515.33 Calculated Property
Cp,gas 469.85 J/mol×K 596.11 Calculated Property
Cp,gas 503.84 J/mol×K 676.89 Calculated Property
Cp,gas 533.01 J/mol×K 757.67 Calculated Property
Cp,gas 557.40 J/mol×K 838.44 Calculated Property
Cp,gas 577.00 J/mol×K 919.22 Calculated Property
Cp,gas 591.85 J/mol×K 1000.00 Calculated Property

Similar Compounds

1-Amino-4-bromo-2-anthraquinone sulfonic acid, sodium salt. N-Desmethylmirtazapine. ethyl eburnamenine-14-carboxylate. Ni-TETMP complex. Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-. Norcodeine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. DIHYDROERGOTAMINE. Normorphine TMS. Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. 3-propionyl-morphine. Brucine. ERGOTAMINE. Ergocristine.

Find more compounds similar to 1-Amino-4-bromo-2-anthraquinone sulfonic acid.

Sources

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