CAS 911818-75-2 1,3,5-Tris(4'-carboxy[1,1'-biphenyl]-4-yl)benzene

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1,3,5-Tris(4'-carboxy[1,1'-biphenyl]-4-yl)benzene

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Catalog Number

ACM911818752-2

CAS Number

911818-75-2

Product Name

1,3,5-Tris(4'-carboxy[1,1'-biphenyl]-4-yl)benzene

Structure

Category

Carboxylic acid MOF ligand-tricarboxylic acid MOF ligand

Synonyms

TCBPB

Description

1,3,5-Tris(4'-carboxy[1,1'-biphenyl]-4-yl)benzene is used as a linker molecule for the synthesis of high performance metal-organic framework (MOFs).

IUPAC Name

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

Molecular Weight

666.72

Molecular Formula

C45H30O6

Canonical SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C3=CC(=CC(=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)O)C6=CC=C(C=C6)C7=CC=C(C=C7)C(=O)O

InChI

1S/C45H30O6/c46-43(47)37-19-13-31(14-20-37)28-1-7-34(8-2-28)40-25-41(35-9-3-29(4-10-35)32-15-21-38(22-16-32)44(48)49)27-42(26-40)36-11-5-30(6-12-36)33-17-23-39(24-18-33)45(50)51/h1-27H,(H,46,47)(H,48,49)(H,50,51)

InChI Key

PEQRGMPXYDIZSX-UHFFFAOYSA-N

Melting Point

>300 °C

Flash Point

Not applicable

Purity

97%

Appearance

Yellow solid

Storage

2-8°C

Complexity

981

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

666.20423867g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

MDL Number

MDLnumberMFCD15144773

Monoisotopic Mass

666.20423867g/mol

Rotatable Bond Count

Topological Polar Surface Area

112Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

10.3

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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