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363693

Sigma-Aldrich

4-tert-Butylcalix[6]arene

95%

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About This Item

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

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

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Application

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Gutsche, C.D.
Calixarenes (1989)
Aldrichimica Acta, 28, 3-3 (1995)

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