5,5'-(9,10-Anthracenediyl)diisophthalic acid

Basic Information

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CAS Number

422269-95-2

Molecular Formula

C30H18O8

Molecular Weight

506.47 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

Physical State

No data available

Melting Point

No data available

Boiling Point

832.8±65.0 °C(Predicted)

Density

1.496±0.06 g/cm3(Predicted)

Flash Point

471.3±30.8 °C

Vapor Pressure

0.0±3.2 mmHg at 25°C

SMILES

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c1ccc2c(c1)c(c3ccccc3c2c4cc(cc(c4)C(=O)O)C(=O)O)c5cc(cc(c5)C(=O)O)C(=O)O

InChI

InChI=1S/C30H18O8/c31-27(32)17-9-15(10-18(13-17)28(33)34)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)16-11-19(29(35)36)14-20(12-16)30(37)38/h1-14H,(H,31,32)(H,33,34)(H,35,36)(H,37,38)

InChIKey

NIFGWZVJZPTKRA-UHFFFAOYSA-N

LogP

6.119800000000005

pKa

3.11±0.10(Predicted)

Topological Polar Surface Area

149.2 Å²

Hydrogen Bond Donor/Acceptor

4 / 8

Complexity

789

Safety Information

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Hazard Statement

Synonyms & References

English

Diphenylethyne- 3, 3', 5, 5'-tetracarboxylic acid (PCN-14)
5,5'-(anthracene-9,10-diyl)diisophthalic acid
5,5'-(anthracene-9,1-diyl)diisophthalicacid
5,5'-(9,10-Anthracenediyl)diisophthalic acid
9.10-bis (3', 5'-dicarboxyphenyl) anthracene
1,3-Benzenedicarboxylic acid, 5,5'-(9,10-anthracenediyl)bis-
DK7236
DK7639
5,5’-(9,10-anthracenediyl)diisophthalic acid
5,5'-(anthracene-9,10-diyl)diisophthalicacid
5,5'-(9,10-anthracenediyl)di-isophthalate
5,5'-(9,10-anthracenediyl)diisophthalic acid
5,5'-(9,10-anthracenediyl)di-isophthalic acid
H4adip
ML01020
CID 88549064

MDL Number

MFCD31700771

FAQ

What are the physical and chemical properties of 5,5'-(9,10-Anthracenediyl)diisophthalic acid (CAS: 422269-95-2)?

5,5'-(9,10-Anthracenediyl)diisophthalic acid is a crystalline solid with a high molecular weight and good thermal stability. It has a low aqueous solubility but is more soluble in organic solvents. The compound shows moderate reactivity in esterification and amide-forming reactions, making it suitable for polymer synthesis. Its anthracenediyl linkage provides unique optical and electronic properties.

How is 5,5'-(9,10-Anthracenediyl)diisophthalic acid (CAS: 422269-95-2) typically synthesized?

5,5'-(9,10-Anthracenediyl)diisophthalic acid is synthesized via esterification of anthracenedicarboxylic acid with isophthalic acid in the presence of a strong acid catalyst, such as trifluoroacetic acid. The reaction is performed under anhydrous conditions to enhance yield and selectivity. The product is purified by recrystallization from a suitable solvent.

What industries use 5,5'-(9,10-Anthracenediyl)diisophthalic acid (CAS: 422269-95-2)?

5,5'-(9,10-Anthracenediyl)diisophthalic acid is primarily used in the polymer industry for the development of high-performance polymers with enhanced optical and electronic properties. It also finds applications in the pharmaceutical sector for the synthesis of specific drug intermediates and in the semiconductor industry for electronic materials.

What precautions should be taken when handling 5,5'-(9,10-Anthracenediyl)diisophthalic acid (CAS: 422269-95-2)?

When handling 5,5'-(9,10-Anthracenediyl)diisophthalic acid, proper personal protective equipment (PPE) should be worn including gloves, safety goggles, and a lab coat. The substance should be handled in a fume hood to minimize inhalation risks. Spills should be cleaned up promptly using absorbent materials, followed by rinsing the area with water. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.