4-[4-amino-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid

Basic Information

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CAS Number

1414662-67-1

Molecular Formula

C27H19NO6

Molecular Weight

453.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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NC1C(=CC(=CC=1C1C=CC(=CC=1)C(O)=O)C1C=CC(=CC=1)C(O)=O)C1C=CC(=CC=1)C(O)=O

InChI

InChI=1S/C27H19NO6/c28-24-22(16-3-9-19(10-4-16)26(31)32)13-21(15-1-7-18(8-2-15)25(29)30)14-23(24)17-5-11-20(12-6-17)27(33)34/h1-14H,28H2,(H,29,30)(H,31,32)(H,33,34)

InChIKey

SJZOGPUPSBNNTA-UHFFFAOYSA-N

LogP

5.364400000000003

Topological Polar Surface Area

137.92000000000002 Å²

Hydrogen Bond Donor/Acceptor

5 / 7

Synonyms & References

English

2'-amino-5'-(4-carboxyphenyl)-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid
NH2-H3BTB

MDL Number

MFCD34165563

FAQ

What is 4-[4-amino-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid (CAS: 1414662-67-1)?

4-[4-amino-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid (CAS 1414662-67-1) is a complex aromatic carboxylic acid with potential applications in pharmaceutical research and development. It is characterized by its unique molecular structure and exhibits properties such as solubility in organic solvents and a high molecular weight.

What are the main uses of 4-[4-amino-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid (CAS: 1414662-67-1)?

4-[4-amino-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid (CAS 1414662-67-1) is primarily used in pharmaceutical research for its potential as a drug candidate. Additionally, it may be used in material science for its unique properties and in analytical chemistry for its reactivity.

Is 4-[4-amino-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid (CAS: 1414662-67-1) safe?

4-[4-amino-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid (CAS 1414662-67-1) can be safe when handled with appropriate precautions. It is important to follow safety guidelines, including wearing protective gloves, goggles, and clothing, and working in a well-ventilated area to avoid exposure. Proper disposal methods should also be adhered to.

How should 4-[4-amino-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid (CAS: 1414662-67-1) be stored?

4-[4-amino-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid (CAS 1414662-67-1) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Optimal storage conditions are below 25°C and a relative humidity below 60%.