1,3,5-Tris(4-carboxyphenyl)benzene
Product Information
Molecular Formula
C27H18O6
Molecular Weight
438.43
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.
Synonyms
4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
IUPAC Name
4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
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
LogP
5.78220
Safety Information
Hazards
H315 H319
Precautionary Statement
P273, P391, and P501
Signal Word
Warning
Computed Properties
XLogP3
5.4
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
6
Exact Mass
438.11033829 g/mol
Monoisotopic Mass
438.11033829 g/mol
Topological Polar Surface Area
112Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
588
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114059772-A | Integral casting one-step forming construction process for house building | 2021-12-22 |
| CN-114106716-A | Adhesive interlining suitable for knitted cashmere fabric and preparation method thereof | 2021-12-22 |
| CN-114029090-A | Preparation method of photocatalyst for removing heavy metals in sewage | 2021-12-17 |
| CN-114166903-A | Cadaverine sensor based on ion-conducting metal-organic framework compound film and preparation method thereof | 2021-12-06 |
| CN-113877528-A | Porous composite material, preparation method and application thereof | 2021-10-28 |
| CN-113884556-A | Preparation method of ratio type electrochemical sensor for ochratoxin A detection | 2021-10-15 |
| CN-113813999-A | SiO (silicon dioxide)2@ metal-organic nanosheet core-shell material, preparation process and catalytic performance detection method | 2021-09-26 |
| CN-113731196-A | Mixed matrix membrane for removing fluoride in water and preparation method thereof | 2021-08-04 |
| CN-113663417-A | Gauze material, device containing gauze material, preparation method and application of gauze material | 2021-07-29 |
| CN-113769146-A | Non-contact method for killing bacteria, fungi or viruses | 2021-07-29 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22895350 | 2012-09-28 | Functional group effects on metal-organic framework topology | Chemical communications (Cambridge, England) |
| 22266979 | 2012-04-14 | Catenation control in the two-dimensional coordination polymers based on tritopic carboxylate linkers and azamacrocyclic nickel(II) complexes | Dalton transactions (Cambridge, England : 2003) |
| 22122560 | 2011-12-21 | Highly dispersed palladium(II) in a defective metal-organic framework: application to C-H activation and functionalization | Journal of the American Chemical Society |
| 21294178 | 2011-02-11 | A family of chiral metal-organic frameworks | Chemistry (Weinheim an der Bergstrasse, Germany) |
| 21582536 | 2009-03-25 | Tetra-n-propyl-ammonium chloride monohydrate | Acta crystallographica. Section E, Structure reports online |
| 19053339 | 2009-01-05 | Accessing postsynthetic modification in a series of metal-organic frameworks and the influence of framework topology on reactivity | Inorganic chemistry |
| 11161211 | 2001-02-09 | Interwoven metal-organic framework on a periodic minimal surface with extra-large pores | Science (New York, N.Y.) |
