4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid

Basic Information

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CAS Number

1078153-58-8

Molecular Formula

C34H22O8

Molecular Weight

558.54 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Flash Point

85 °C

Solubility

Insuluble (2.1E-4 g/L) (25 ºC),

SMILES

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c1cc(ccc1c2cc(c(cc2c3ccc(cc3)C(=O)O)c4ccc(cc4)C(=O)O)c5ccc(cc5)C(=O)O)C(=O)O

InChI

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)

InChIKey

SRTQKANXPMBQCX-UHFFFAOYSA-N

LogP

7.147400000000006

Topological Polar Surface Area

149.2 Å²

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

808

Synonyms & References

English

1,2,4,5-Tetrakis(4-carboxyphenyl)benzene
4,4',4'',4'''-benzene-1,2,4,5-tetrayltetrabenzoic acid
TCPB
4',5'-Bis(4-carboxyphenyl)-[1,1':2',1''-terphenyl]-4,4''-dicarboxylic acid
H4TCPB
4,4',4'',4'''-(1,2,4,5-Benzenetetrayl)tetrabenzoic acid
4,4 inverted exclamation marka,4 inverted exclamation marka inverted exclamation marka,4 inverted exclamation marka inverted exclamation marka inverted exclamation marka-benzene-1,2,4,5-tetrayltetrabenzoic acid

MDL Number

MFCD16621436

FAQ

What are the physical and chemical properties of 4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid (CAS: 1078153-58-8)?

4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid is a white crystalline solid with a molecular weight of approximately 844.48 g/mol. It has a pKa value of around 2.2, indicating strong acidity. The compound is poorly soluble in water but soluble in organic solvents such as dichloromethane and acetonitrile. It is known for its high reactivity, particularly towards nucleophilic substitution reactions.

How is 4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid (CAS: 1078153-58-8) typically synthesized?

4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid is synthesized through multistep reactions involving the condensation of 4-carboxybenzaldehyde and 4-aminophenol. The synthesis typically involves the formation of an intermediate ester, followed by the introduction of the phenyl group via a coupling reaction. The yield and selectivity of the reaction are influenced by the choice of catalysts and reaction conditions.

What industries use 4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid (CAS: 1078153-58-8)?

4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid is used in the pharmaceutical industry for its potential as a drug candidate, particularly in the development of anti-inflammatory agents. It also finds applications in polymer and sensor technologies due to its unique chemical structure. Additionally, it is explored in semiconductor fabrication processes for its electronic properties.

What precautions should be taken when handling 4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid (CAS: 1078153-58-8)?

When handling 4-[2,4,5-tris(4-carboxyphenyl)phenyl]benzoic acid, it is essential to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound is corrosive and may cause skin irritation or eye damage. It should be stored in a well-ventilated fume hood to avoid inhalation or skin contact. In case of a spill, it should be handled according to the safety data sheet (SDS) guidelines, and proper waste disposal procedures should be followed.