1(2),3(2),5(2),7(2),9(2),11(2)-Hexahydroxy-1,3,5,7,9,11(1,3)-hexabenzenacyclododecaphane-1(5),3(5),5(5),7(5),9(5),11(5)-hexasulfonic acid

Name: 1(2),3(2),5(2),7(2),9(2),11(2)-Hexahydroxy-1,3,5,7,9,11(1,3)-hexabenzenacyclododecaphane-1(5),3(5),5(5),7(5),9(5),11(5)-hexasulfonic acid
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Availability: OutOfStock
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CAS No. 102088-39-1
Cat. No. CS-0329838
Purity98+%
MDL No.MFCD00143376

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1(2),3(2),5(2),7(2),9(2),11(2)-Hexahydroxy-1,3,5,7,9,11(1,3)-hexabenzenacyclododecaphane-1(5),3(5),5(5),7(5),9(5),11(5)-hexasulfonic acid|CS-0329838

Structure of 102088-39-1

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General Information
Synthesis
Safety Information
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Computational Chemistry Data

General Information

CAS No. 102088-39-1
Cat. No. CS-0329838
Purity 98+%
MDL No. MFCD00143376
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄₂H₃₆O₂₄S₆
Molecular Weight 1117.11
Synonym(s) Hexasulfo(hexahydroxy)calix[6]arene
SMILES C1C2=C(C(=CC(=C2)S(=O)(=O)O)CC3=C(C(=CC(=C3)S(=O)(=O)O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=CC(=CC(=C5O)CC6=CC(=CC(=C6O)CC7=CC(=CC1=C7O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O)O)O

Synthesis

Route1
- In-stock
  
  96107-95-8
- ~77%
- 102088-39-1
References
- Tauran, Yannick; Brioude, Arnaud; Shahgaldian, Patrick; Cumbo, Alessandro; Kim, Beomjoon; Perret, Florent; Coleman, Anthony W.; Montasser, Imed Chemical Communications, 2012 , vol. 48, # 76 p. 9483 - 9485
Route2
- 189832-67-5
- ~%
- 102088-39-1
References
- Langmuir, , vol. 28, # 5 p. 2404 - 2414 Langmuir, , vol. 28, # 16 p. 6561 - 6568

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

TPSA 447.6
LogP 3.2586
H_Acceptors 18
H_Donors 12
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Sulfonic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

General Reagents Chelates & Complexes

Material Science Material Building Blocks Supramolecular Host Materials Calixarenes

Chemical Synthesis Synthetic Reagents Chelation/Complexation Compounds

Chemical Synthesis Synthetic Reagents Chelation/Complexation Compounds Calixarenes

Key Words

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1(2),3(2),5(2),7(2),9(2),11(2)-Hexahydroxy-1,3,5,7,9,11(1,3)-hexabenzenacyclododecaphane-1(5),3(5),5(5),7(5),9(5),11(5)-hexasulfonic acid

CAS No. 102088-39-1

General Information

Synthesis

References