CONTACT US

Tel:
Fax:
Address:
Email: For product inquiries, please use our online system or send an email to
To receive a copy of our product catalog, please contact us at

chemistry partner

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

Catalog Number
ACM911818752-2
Product Name
1,3,5-Tris(4'-carboxy[1,1'-biphenyl]-4-yl)benzene
Structure
CAS
911818-75-2
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
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
666.20423867g/mol
Formal Charge
0
Heavy Atom Count
51
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
MDL Number
MDLnumberMFCD15144773
Monoisotopic Mass
666.20423867g/mol
Rotatable Bond Count
9
Topological Polar Surface Area
112Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
10.3
If you have any other questions or need other size, please get a quote.
  • CAS
  • Size
  • Purity
  • Price
  • Availability
  • Quantity
  • Order
※ Please kindly note that our products are for research use only.
qrcode

Share

Interested in our Services & Products? Need detailed information?
facebook twitter linkedin

Contact Us

Email:
Tel:
Fax:
Address: