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1,2,4,5-Tetrakis(4-carboxyphenyl)benzene (This product is unavailable in the U.S.)

1,2,4,5-Tetrakis(4-carboxyphenyl)benzene (This product is unavailable in the U.S.)

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Molecular Formula:

C34H22O8

Molecular Weight:

558.54

CAS Number:

1078153-58-8

Catalog Number:

1078153-58-8

Product Information

Molecular Formula:

C34H22O8

Molecular Weight:

558.54

Description

1,2,4,5-Tetrakis(4-carboxyphenyl)benzene is an exquisitely symmetric molecular analogue of benzene, ubiquitously harnessed within the realms of biochemistry. Emphatically, its utilization underpins the construction of metal-organic frameworks, crucial facilitators of drug transportation, conspicuously offering its prowess to cancer chemotherapy regimens.

Synonyms

1,2,4,5-Tetrakis(4-carboxyphenyl)benzene; 4',5'-Bis(4-carboxyphenyl)-[1,1':2',1''-terphenyl]-4,4''-dicarboxylic acid; 4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid; 1,2,4,5-Tetrakis(4-carboxyphenyl)benzene - H4TCPB; 4,4',4'',4'''-(1,2,4,5-Benzenetetrayl)tetrabenzoic acid; 1,2,4,5-Tetrakis(4-carboxyphenyl)benzene, contains up to 6 wt. % water, >=98%;

IUPAC Name

4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid

Canonical SMILES

C1=CC(=CC=C1C2=CC(=C(C=C2C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C5=CC=C(C=C5)C(=O)O)C(=O)O

InChI

InChI=1S/C34H22O8/c35-31(36)23-9-1-19(2-10-23)27-17-29(21-5-13-25(14-6-21)33(39)40)30(22-7-15-26(16-8-22)34(41)42)18-28(27)20-3-11-24(12-4-20)32(37)38/h1-18H,(H,35,36)(H,37,38)(H,39,40)(H,41,42)

InChI Key

SRTQKANXPMBQCX-UHFFFAOYSA-N

Boiling Point

792.8±60.0 °C(Predicted)

Flash Point

85 °C

Purity

>97.0%(T)(HPLC)

Density

1.393±0.06 g/cm3(Predicted)

Appearance

White to Almost white powder to crystal

Safety Information

Hazards

H315 H319

Precautionary Statement

P264 P280 P302 + P352 P337 + P313 P305 + P351 + P338 P362+P364 P332 + P313

Computed Properties

XLogP3

6.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

558.13146766 g/mol

Monoisotopic Mass

558.13146766 g/mol

Topological Polar Surface Area

149Å²

Heavy Atom Count

Formal Charge

Complexity

808

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
CN-113481015-A	Mercury-contaminated soil remediation agent and preparation method thereof	2021-07-26
CN-113351163-A	Microporous carbon adsorbent for separating C6 alkane isomer and C8 xylene isomer, and preparation method and application thereof	2021-06-30
CN-113248727-A	Thorium-based metal organic framework material and synthetic method thereof	2021-05-31
JP-2021006643-A	Fluorescent membrane and molecular detector	2020-10-01
CN-112179882-A	Method for detecting organophosphorus pesticide by using MOFs @ QDs material in farmland environment	2020-09-23
JP-2022029172-A	Active ingredient release material, method of manufacturing active ingredient release material, method of release of active ingredient	2020-08-04
JP-2022029173-A	Active ingredient release material, method of manufacturing active ingredient release material, method of release of active ingredient	2020-08-04
JP-2022013196-A	Deodorant antibacterial antifungal substance, deodorant antibacterial antifungal paint composition, and deodorant antibacterial antifungal coating film	2020-07-03
CN-111762836-A	Broad-spectrum aflatoxin adsorption column filling material and preparation method thereof	2020-06-22
CN-111337466-A	Method for manufacturing metal-organic framework fluorescent material detection test strip for ultra-fast on-site detection of parathion	2020-03-24

Literatures

PMID	Publication Date	Title	Journal
21417272	2011-04-13	Kinetic separation of propene and propane in metal-organic frameworks: controlling diffusion rates in plate-shaped crystals via tuning of pore apertures and crystallite aspect ratios	Journal of the American Chemical Society
19271705	2009-04-01	A catalytically active, permanently microporous MOF with metalloporphyrin struts	Journal of the American Chemical Society
18928272	2008-11-17	An example of node-based postassembly elaboration of a hydrogen-sorbing, metal-organic framework material	Inorganic chemistry

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