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Cucurbit[7]uril hydrate

Name: Cucurbit[7]uril hydrate
Brand: ALDRICH

contains acid of crystalization

Synonym(s):

(CB[7]) hydrate

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About This Item

Linear Formula:

C₄₂H₄₂N₂₈O₁₄ · xH₂O · xHCl

MDL number:

MFCD03456500

UNSPSC Code:

12162002

PubChem Substance ID:

329758036

NACRES:

NA.23

form

solid

Quality Level

100

contains

acid of crystalization

SMILES string

O.Cl.O=C1N2CN3C4C5N(CN6C7C8N(CN9C%10C%11N(CN%12C%13C%14N(CN%15C%16C%17N(CN%18C%19C%20N(CN1C%21C2N%22CN4C(=O)N5CN7C(=O)N8CN%10C(=O)N%11CN%13C(=O)N%14CN%16C(=O)N%17CN%19C(=O)N%20CN%21C%22=O)C%18=O)C%15=O)C%12=O)C9=O)C6=O)C3=O

InChI

1S/C42H42N28O14.ClH.H2O/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73;;/h15-28H,1-14H2;1H;1H2/t15-,16+,17+,18-,19-,20+,21+,22-,23-,24+,25+,26-,27-,28+;;

InChI key

AYRJHMOIVADVIC-AGNAEYGZSA-N

Related Categories

Hydrophilic Polymers

General description

Cucurbit[7]uril hydrate is a non-toxic hostmacrocycle wide used as a ligand in complexation reactions, such as the synthesisof novel uranyl ion complexes, host-guest complexes with albendazole andinclusion complexes with Stenhouse adducts.

Application

Shape-induced selective separation of ortho-substituted benzene isomers enabled by cucurbit[7]uril host macrocycles: Demonstrates the use of Cucurbit[7]uril for the selective separation of ortho-substituted benzene isomers, utilizing its unique shape-induced properties (Zhang et al., 2020).
Supramolecular gating of guest release from cucurbit[7]uril using de novo design: Explores computational design to modulate the release kinetics of encapsulated guest molecules from Cucurbit[7]uril, enhancing control over molecular release mechanisms (Lambert et al., 2022).
Enhanced energy conversion of Z907-based solar cells by Cucurbit[7]uril macrocycles: Investigates the effects of adding Cucurbit[7]uril to solar cells, showing improvement in energy conversion efficiency, suggesting potential applications in photovoltaic devices (Al-Dmour et al., 2019).

Other Notes

May contain ca. 20% water. Contains acid of crystallization.

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)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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