1,3,5-Tris(4-carboxyphenyl)benzene

ALDRICH/686859 - ≥98%, ≤20 wt. % solvent

Synonym: 4,4′,4′′,-Benzene-1,3,5-triyl-tris(benzoic acid); H3BTB

CAS Number: 50446-44-1
Empirical Formula (Hill Notation): C₂₇H₁₈O₆
Molecular Weight: 438.43
MDL Number: MFCD10000888
Linear Formula: C₂₇H₁₈O₆
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-686859-1G	1 g	$381.00 1/EA	Add To Favorites

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Properties
Descriptions
Safety Info.
Basic Data

assay	≥98%
form	solid
greener alternative category	Enabling ,
greener alternative product characteristics	Design for Energy Efficiency Learn more about the Principles of Green Chemistry .
impurities	≤20 wt. % solvent
InChI	1S/C27H18O6/c28-25(29)19-7-1-16(2-8-19)22-13-23(17-3-9-20(10-4-17)26(30)31)15-24(14-22)18-5-11-21(12-6-18)27(32)33/h1-15H,(H,28,29)(H,30,31)(H,32,33)
InChI key	SATWKVZGMWCXOJ-UHFFFAOYSA-N
mp	322-327 °C
SMILES string	OC(=O)c1ccc(cc1)-c2cc(cc(c2)-c3ccc(cc3)C(O)=O)-c4ccc(cc4)C(O)=O
sustainability	Greener Alternative Product

Application:	1,3,5-Tris(4-carboxyphenyl)benzene (BTB) is a building block for Metal Organic Frameworks (MOFs). MOFs are 3D-microporous materials with potential applications in gas adsorption and separation technologies. BTB has been recently used as a linker to make MOFs with extremely high surface area such as MOF-177 (~ 5000 m²/g), a hydrogen absorbing material with an extremely high hydrogen storage capacity of 7.5% at 77K.
Application:	1,3,5-Tris(4-carboxyphenyl)benzene (H₃BTB) is a star-shaped two-dimensional molecule that forms a self-assembled monolayer (SAM) on a variety of substrates. It can be used as a tritopic bridging ligand that facilitates the functionalization of polyoxometalate-based metal organic frameworks (MOFs) for potential usage in gas storage, gas separation, and catalysis.
General description:	We are committed to bringing you Greener Alternative Products, which adhere to one or more of The 12 Principles of Greener Chemistry. This product has been enhanced for energy efficiency. Find details here .
Packaging:	1 g in glass bottle

Symbol	GHS02,GHS07,GHS09
Signal word	Danger
Hazard statements	H228 - H315 - H319 - H410
Precautionary statements	P210 - P273 - P302 + P352 - P305 + P351 + P338
Hazard Codes	Xi,N
Risk Statements	36/38-50/53
Safety Statements	26-61
RIDADR	UN 3175 4.1 / PGII
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	≥98%
mp	322-327 °C
UNSPSC	26111700

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