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
ω 1.0307 Relay (1.0) Calculated Property
ΔfG° -445.54 kJ/mol Joback Calculated Property
ΔfH°gas -559.97 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 42.28 kJ/mol Joback Calculated Property
ΔvapH° 142.49 kJ/mol Relay (1.0) Calculated Property
IE 8.69 eV Relay (1.0) Calculated Property
log10WS -3.41 Relay (1.0) Calculated Property
logPoct/wat 2.053 Crippen Calculated Property
McVol 214.320 ml/mol McGowan Calculated Property
Pc 5146.06 kPa Joback Calculated Property
Tboil 741.01 K Relay (1.0) Calculated Property
Tc 1160.75 K Relay (1.0) Calculated Property
Tfus 576.46 K Relay (1.0) Calculated Property
Vc 0.747 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [594.71; 608.15] J/mol×K [1019.41; 1275.42] Show Hide
Cp,gas 594.71 J/mol×K 1019.41 Joback Calculated Property
Cp,gas 600.03 J/mol×K 1062.08 Joback Calculated Property
Cp,gas 604.04 J/mol×K 1104.75 Joback Calculated Property
Cp,gas 606.72 J/mol×K 1147.41 Joback Calculated Property
Cp,gas 608.09 J/mol×K 1190.08 Joback Calculated Property
Cp,gas 608.15 J/mol×K 1232.75 Joback Calculated Property
Cp,gas 606.90 J/mol×K 1275.42 Joback Calculated Property

Similar Compounds

1-Amino-4-bromo-2-anthraquinone sulfonic acid, sodium salt. ethyl eburnamenine-14-carboxylate. N-Desmethylmirtazapine. Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6-nitro-. Methysergide. Heptafluorobutyryl-codeine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [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»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

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

Sources

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