Name | Calix[4]arene |
Synonyms | 74568-07-3 Calix[4]arene 25,26,27,28-Tetrahydroxycalix[4]aren pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol pentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol pentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol |
CAS | 74568-07-3 |
InChI | InChI=1/C28H24O4/c29-25-17-5-1-6-18(25)14-20-8-3-10-22(27(20)31)16-24-12-4-11-23(28(24)32)15-21-9-2-7-19(13-17)26(21)30/h1-12,29-32H,13-16H2 |
InChIKey | YPNHVQZZPXPQOS-UHFFFAOYSA-N |
Molecular Formula | C28H24O4 |
Molar Mass | 424.49 |
Density | 1.1077 (rough estimate) |
Melting Point | 310-314°C |
Boling Point | 500.52°C (rough estimate) |
Flash Point | 264.9°C |
Solubility | Soluble in chloroform. |
Vapor Presure | 6.43E-15mmHg at 25°C |
Appearance | Crystalline Powder |
Color | Off-white to light beige |
BRN | 3574428 |
pKa | 9.38±0.20(Predicted) |
Storage Condition | Room Temprature |
Refractive Index | 1.6400 (estimate) |
MDL | MFCD00143912 |
Physical and Chemical Properties | Calix [4] arene has hydrophobic cavities with easy complexation of ions and neutral molecules, and also has the disadvantages of poor solubility and unstable conformation. |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection S37 - Wear suitable gloves. |
WGK Germany | 3 |
HS Code | 29072990 |
structural properties | calix [4] arene as a member of the third generation supramolecular host, the macrocyclic compound formed by the condensation of phenol unit and formaldehyde has the advantages of adjustable cavity, variable conformation, easy structure modification and convenient synthesis, non-covalent bond interactions (supramolecular interactions) such as δ-π stacking are used to identify guest molecules. Calix [4] arene-based Supramolecular Gels have attracted much attention. A variety of stimuli-responsive gels have been prepared using these gels. |