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4-Sulfocalix[6]Arene

4-Sulfocalix[6]Arene / CAS : 102088-39-1

Appearance White to light yellow to light orange powder crystals UN -
HS 29420000 DG Class -
Synonyms Hexahydroxycalix[6]Arenehexasulfonic Acid Hydrate; 4-Sulfocalix[6]Arene Hydrate; Hexasulfo(Hexahydroxy)Calix[6]Arene Hydrate; Hexahydroxycalix[6]Arenehexasulfonic Acid
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Properties

Summary

Formula
C42H36O24S6
Molecular Mass
1117.11000
Exact Mass
1115.99000
PSA
497.88000
Logp
9.74340
IUPAC
37,38,39,40,41,42-hexahydroxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-5,11,17,23,29,35-hexasulfonic acid
SMILES
C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O)(=O)O)CC6=C(C(=CC(=C6)S(=O)(=O)O)CC7=C(C1=CC(=C7)S(=O)(=O)O)O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Attribute classification

Matter Classification
organic
Category
Organic Chemical Materials > Aromatic Compounds

Chemical and Physical Properties

Melting Point
246°C (dec.)
Density
1.786±0.06 g/cm3(Predicted)
Appearance
White to light yellow to light orange powder crystals

Export information

HS Code
29420000
Export Rebate
13%
Risk Code
36/37/38

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