Diphenyl isophthalate

Basic Information

View in Editor

CAS Number

744-45-6

Molecular Formula

C20H14O4

Molecular Weight

318.33 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

136-138 °C

Boiling Point

275 ºC (10 mmHg)

Density

1,2 g/cm3

Flash Point

223 ºC

Refractive Index

1.5400 (estimate)

SMILES

View in Editor

C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H14O4/c21-19(23-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22)24-18-12-5-2-6-13-18/h1-14H

InChIKey

FHESUNXRPBHDQM-UHFFFAOYSA-N

LogP

4.125000000000003

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

383

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Isophthalic Acid Diphenyl Ester
EINECS 212-014-6
FT-0601953
diphenyl benzene-1,3-dicarboxylate
Q27292631
CHEMBL1879622
AS-48058
Diphenyl isophthalate, 99%
AKOS015839110
NCGC00164168-02
I0416
AC-22304
Isophthalic acid, diphenyl ester
F17606
CAS-744-45-6
SCHEMBL69684
DIPHENYL 1,3-BENZENEDICARBOXYLATE
DIPHENYLISOPHTHALATE
1,3-Benzenedicarboxylic acid, 1,3-diphenyl ester
NS00015592
1,3-Benzenedicarboxylic acid, diphenyl ester
NSC631622
Q-201009
InChI=1/C20H14O4/c21-19(23-17-10-3-1-4-11-17)15-8-7-9-16(14-15)20(22)24-18-12-5-2-6-13-18/h1-14H
744-45-6
Diphenyl isophthalate
Tox21_400023
FHESUNXRPBHDQM-UHFFFAOYSA-
NSC-16430
Diphenyl-iso-phthalate
Isophthalic acid, bis-phenyl ester

MDL Number

MFCD00046051

FAQ

What are the physical and chemical properties of Diphenyl isophthalate (CAS: 744-45-6)?

Diphenyl isophthalate (CAS: 744-45-6) is a crystalline solid with a molecular weight of approximately 286.17 g/mol. It has a melting point of around 140°C and is slightly soluble in water but soluble in organic solvents like acetone and acetonitrile. The compound is relatively stable but can undergo hydrolysis in the presence of water and heat. It is not readily reactive under normal conditions but can react with strong bases to form phenylphenyl isophthalate salts.

How is Diphenyl isophthalate (CAS: 744-45-6) typically synthesized?

Diphenyl isophthalate is typically synthesized by the esterification of isophthalic acid with diphenol. Commonly, this reaction is carried out in the presence of a catalyst such as sulfuric acid. The process involves mixing isophthalic acid and diphenol in the presence of the catalyst, followed by a series of refluxing steps to ensure complete esterification. The yield is generally high, and the purity of the product can be improved through recrystallization.

What industries use Diphenyl isophthalate (CAS: 744-45-6)?

Diphenyl isophthalate (CAS: 744-45-6) is primarily used in the polymer industry as a component in the production of polyesters and as an intermediate in the synthesis of other chemical compounds. It also finds applications in the pharmaceutical industry, where it is used as a precursor in the synthesis of certain drugs. Additionally, it is used in the manufacturing of sensors and semiconductors due to its specific chemical and physical properties.

What precautions should be taken when handling Diphenyl isophthalate (CAS: 744-45-6)?

When handling Diphenyl isophthalate (CAS: 744-45-6), it is essential to wear appropriate personal protective equipment (PPE), including gloves and goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be handled with appropriate absorbent materials, and the area should be cleaned thoroughly. Always refer to the safety data sheet (SDS) for detailed information on handling and emergency procedures.