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Calix[6]Arene

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Calix[6]Arene / CAS : 96107-95-8

Appearance White to light yellow to light orange powder crystals UN -
HS 29420000 DG Class -
Synonyms Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]Dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-Octadecaene-37,38,39,40,41,42-Hexol; 37,38,39,40,41-Hexakis(Hydroxy)Calix[6]Arene; Hexahydroxycalix[6]Arene; Calix[6]Arene-37,38,39,40,41,42-Hexol; Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]Dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-Octadecaene-37,38,39,40,41,42-Hexol; 37,38,39,40,41,42-Hexahydroxycalix<6>Arene; p-H-Calix[6]Arene
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Properties

Summary

Formula
C42H36O6
Molecular Mass
636.73200
Exact Mass
636.25100
PSA
121.38000
Logp
7.77840
IUPAC
heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol
SMILES
C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5O)CC6=CC=CC(=C6O)CC7=CC=CC1=C7O)O)O)O

Attribute classification

Matter Classification
organic
Category
Organic Chemical Materials > Aromatic Compounds

Chemical and Physical Properties

Melting Point
395 °C(lit.)
Density
1.302g/cm3
Boiling Point
788.8ºC at 760mmHg
Flash Point
316.8ºC
Appearance
White to light yellow to light orange powder crystals

Export information

HS Code
29420000
Export Rebate
13%
Risk Code
R36/37/38
Safety Label
Xi

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