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1,2,4,5-Tetrakis(4-carboxyphenyl)benzene

Catalog Number
ACMA00003182
Product Name
1,2,4,5-Tetrakis(4-carboxyphenyl)benzene
Category
Hydrogen Storage Materials; Metal Organic Frameworks (MOFs)
Synonyms
4,4',4'',4'''-benzene-1,2,4,5-tetrayltetrabenzoicacid,H4TCPB
Description
1,2,4,5-Tetrakis(4-carboxyphenyl)benzene (H4TCPB) is an organic linker with a molecular structure that has four carboxyl phenyl groups that are symmetrically attached to the central benzene core. It can be synthesized by using a Suzuki coupling reaction.
IUPAC Name
4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid
Molecular Weight
558.53
Molecular Formula
C6H4-1,4-(CO2H)2
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
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
Melting Point
324-331 °C
Flash Point
85 °C - closed cup
Purity
≥98%
Appearance
powder
Storage
2-8°C
Complexity
808
Covalently-Bonded Unit Count
1
Exact Mass
558.131468g/mol
Formal Charge
0
Heavy Atom Count
42
MDL Number
MDLnumberMFCD16621436
Monoisotopic Mass
558.131468g/mol
Rotatable Bond Count
8
XLogP3
6.5
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