363693

4-tert-Butylcalix[6]arene

95%

• Empirical Formula (Hill Notation): C₆₆H₈₄O₆
• CAS Number: 78092-53-2
• Molecular Weight: 973.37
• Beilstein/REAXYS Number: 2611918
• MDL number: MFCD00075464
• UNSPSC Code: 12352002
• PubChem Substance ID: 24862210
• NACRES: NA.22

Properties

• assay: 95%
• impurities: <5% 4-tert-butylcalix[8]arene
• mp: ≥300 °C (lit.)
• SMILES string: CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc(c1)c2O)c7O)C(C)(C)C)c6O)C(C)(C)C)c5O)C(C)(C)C)c4O)C(C)(C)C)c3O)C(C)(C)C
• InChI: 1S/C66H84O6/c1-61(2,3)49-25-37-19-39-27-50(62(4,5)6)29-41(56(39)68)21-43-31-52(64(10,11)12)33-45(58(43)70)23-47-35-54(66(16,17)18)36-48(60(47)72)24-46-34-53(65(13,14)15)32-44(59(46)71)22-42-30-51(63(7,8)9)28-40(57(42)69)20-38(26-49)55(37)67/h25-36,67-72H,19-24H2,1-18H3
• InChI key: UOEYZAXKBKAKRO-UHFFFAOYSA-N

Description

Application

Starting material for further derivatization, including halogenation, acylation, and diazo coupling.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)