CAS 50446-44-1 1,3,5-Tris(4-carboxyphenyl)benzene

NAVIGATION

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

PRICE INQUIRY

Catalog Number

ACM50446441-2

CAS Number

50446-44-1

Product Name

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

Structure

Category

Hydrogen Storage Materials; Metal Organic Frameworks (MOFs); Small Molecule Semiconductor Building Blocks; Dendrimer Building Blocks; Semiconductor Blocks

Synonyms

4,4',4'',-Benzene-1,3,5-triyl-tris(benzoicacid),H3BTB

Description

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 is a building block for Metal Organic Frameworks (MOFs). 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.

IUPAC Name

4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid

Molecular Weight

438.44

Molecular Formula

C27H18O6

Canonical SMILES

C1=CC(=CC=C1C2=CC(=CC(=C2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O)C(=O)O

InChI

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

Boiling Point

711.0±60.0 °C(Predicted)

Melting Point

325 °C

Purity

>98.0%(HPLC)

Density

Hygroscopic

Appearance

White to Almost white powder to crystal

Storage

Store under inert gas

Complexity

588

Covalently-Bonded Unit Count

Exact Mass

438.110338g/mol

Formal Charge

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

MDL Number

MFCD10000888

Monoisotopic Mass

438.110338g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

Rotatable Bond Count

Signal Word

Warning

XLogP3

5.4

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

If you have any other questions or need other size, please get a quote.