NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
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IUPAC Traditional name
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4-[3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
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Synonyms
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1,3,5-Tri(4-carboxyphenyl)benzene
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H3BTB
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4,4′,4′′,-Benzene-1,3,5-triyl-tris(benzoic acid)
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1,3,5-Tris(4-carboxyphenyl)benzene
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4,4′,4′′-苯-1,3,5-三基-三(苯甲酸)
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1,3,5-三(4-羧基苯基)苯
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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3.58987
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H Acceptors
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6
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H Donor
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3
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LogD (pH = 5.5)
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1.5518533
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LogD (pH = 7.4)
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-3.4704914
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Log P
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5.8876705
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Molar Refractivity
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123.2352 cm3
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Polarizability
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50.17408 Å3
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Polar Surface Area
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111.9 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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false
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
686859
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Frequently Asked Questions Live Chat and Frequently Asked Questions are available for this Product. Application 1,3,5-Tris(4-carboxyphenyl)benzene (BTB) is a building block for Metal Organic Frameworks (MOFs). MOFs are 3D-microporous materials with potential applications in gas adsorption and separation technologies.1,2,3 BTB has been recently used as a linker to make MOFs with extremely high surface area such as MOF-177 (~ 5000 m2/g), a hydrogen absorbing material with an extremely high hydrogen storage capacity of 7.5% at 77K.3 Linkage Sigma-Aldrich offers a variety of molecules that can serve as linkers for Metal Organic Frame Works. To see our current offerings in the area of Materials for Hydrogen Storage Applications, visit www.sigma-aldrich.com/hydrogen. Packaging 1 g in glass bottle Protocols & Applications Selected Applications of MOFs in Sustainable Energy Technologies Metal Organic Framework Linkers Technology Spotlight |
PATENTS
PATENTS
PubChem Patent
Google Patent