1,3,5-Tris(4'-carboxy[1,1'-biphenyl]-4-yl)benzene - CAS 911818-75-2
Catalog: |
BB040068 |
Product Name: |
1,3,5-Tris(4'-carboxy[1,1'-biphenyl]-4-yl)benzene |
CAS: |
911818-75-2 |
Synonyms: |
4-[4-[3,5-bis[4-(4-carboxyphenyl)phenyl]phenyl]phenyl]benzoic acid |
IUPAC Name: | 4-[4-[3,5-bis[4-(4-carboxyphenyl)phenyl]phenyl]phenyl]benzoic acid |
Description: | 1,3,5-Tris(4'-carboxy[1,1'-biphenyl]-4-yl)benzene (CAS# 911818-75-2 ) is a useful research chemical. |
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: | 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 |
LogP: | 10.78320 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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CN-111804346-A | Method for rapidly preparing metal organic layer material and application | 20200717 |
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PMID | Publication Date | Title | Journal |
20536167 | 20100706 | On the scalability of supramolecular networks--high packing density vs optimized hydrogen bonds in tricarboxylic acid monolayers | Langmuir : the ACS journal of surfaces and colloids |
16961341 | 20060918 | Stability and porosity enhancement through concurrent ligand extension and secondary building unit stabilization | Inorganic chemistry |
Complexity: | 981 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 666.20423867 |
Formal Charge: | 0 |
Heavy Atom Count: | 51 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 666.20423867 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 112 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 10.3 |
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