4,4'-Stilbenedicarboxylic acid

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Product Information

Molecular Formula:
C16H12O4
Molecular Weight:
268.27
Description
4,4'-Stilbenedicarboxylic acid (SDA) is a luminescent ligand that is useful as an organic linker due to the presence of two carboxylic groups, which form bridges between metallic centers. It has conjugated aromatic rings that facilitate the formation of a rigid linker. SDA can be used in the hydrothermal synthesis of three-dimensional (3D) metal-organic frameworks, which have potential usage in sensing, drug delivery, luminescence, and gas adsorption. It may also be used in energy storage applications such as supercapacitors and batteries.
Synonyms
4,4'-STILBENEDICARBOXYLIC ACID; TIMTEC-BB SBB007944; TRANS-4,4'-STILBENE-4,4'-DICARBOXYLIC ACID; 4,4-Stilbenedicaroxylic acid; 4,4'-stibenedicarboxylic acid; TRANS-4,4'-STIBENE-4,4'-DICARBOXYLIC ACID
IUPAC Name
4-[(E)-2-(4-carboxyphenyl)ethenyl]benzoic acid
Canonical SMILES
C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C16H12O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H,(H,17,18)(H,19,20)/b2-1+
InChI Key
SBBQDUFLZGOASY-OWOJBTEDSA-N
Boiling Point
518.5ºC at 760 mmHg
Melting Point
300ºC
Flash Point
Not applicable
Purity
>90.0%(LC)
Density
1.356g/cm3
Appearance
white powder
Storage
2-8°C

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3
3.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
268.07355886 g/mol
Monoisotopic Mass
268.07355886 g/mol
Topological Polar Surface Area
74.6Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
336
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113666508-A Microbial composite product for improving water quality and preparation method thereof 2021-08-16
CN-113522247-A Enzyme-driven alpha-Fe2O3UiO porous micromotor and preparation method and application thereof 2021-07-29
CN-112358625-A Amorphous metal organic framework compound with spherical topological structure, application of amorphous metal organic framework compound as echo wall type resonant cavity and laser device 2020-11-27
JP-2021006643-A Fluorescent membrane and molecular detector 2020-10-01
JP-2022025606-A Liquid crystal composition, optically anisotropic layer and manufacturing method 2020-07-29
KR-20220001371-A Polyester copolymer comprising recycled monomers 2020-06-29
WO-2022004995-A1 Polyester copolymer comprising recycled monomers 2020-06-29
WO-2021237309-A1 Multi-stimuli responsive metal-organic frameworks 2020-05-28
CN-113683782-A Metal-organic framework material 2020-05-18
WO-2021233065-A1 Metal-organic framework material 2020-05-18

Literatures

PMID Publication Date Title Journal
19090652 2009-01-20 Distinct differences in self-assembly of aromatic linear dicarboxylic acids Langmuir : the ACS journal of surfaces and colloids
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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