Isophthalic acid

Basic Information

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CAS Number

121-91-5

Molecular Formula

C8H6O4

Molecular Weight

166.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

341-343 °C

Boiling Point

214.32°C (rough estimate)

Water Solubility

0.01 g/100 mL (25 ºC)

Flash Point

217.3 oC

Solubility

0.12g/l

Refractive Index

1.5100 (estimate)

SMILES

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OC(=O)c1cccc(c1)C(=O)O

InChI

InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)

InChIKey

QQVIHTHCMHWDBS-UHFFFAOYSA-N

LogP

1.083

pKa

3.54(at 25℃)

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

179

Safety Information

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Hazard Statement

H316 Causes mild skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

Stability

Stable. Incompatible with strong oxidizing agents, strong bases.

Sensitiveness

Sensitive to humidity

Synonyms & References

English

Isophthalic acid
RARECHEM AL BO 0036
M-PHTHALIC ACID
1,3-dicarboxybenzene
1,3-phthalicacid
Acide isophtalique
acideisophtalique(french)
isophthalate
Isophthalic acid (IPA)
Isophthalic acidneat
Iso-phthalic Acid
1,3-benzenedicarboxylic acid
2-Carboxyamidotryptamine
5-Carboxamide tryptamine
5-carboxamidotrypamine
5-Carboxamidotryptamine
5-CARBOXAMIDOTRYPTAMINE HEMIETHANOLATE MALEATE SALT
5-CARBOXAMINODOTRYPTAMINE
5-Carboxyamidotryptamine
5-carboxybenzoic acid
5-CAT
5-CT
Benzene-1,3-dicarboxylic Acid
Benzene-M-dicarboxylic acid
IPA
isophtalic acid
Isophthalic
META-PHTHALICACID
kyselinaisoftalova
IPA)Isophthalic
acideisophtalique

MDL Number

MFCD00002516

Customs Code

29173980

FAQ

What is Isophthalic acid (CAS: 121-91-5)?

Isophthalic acid (CAS: 121-91-5) is an aromatic dicarboxylic acid with the chemical formula C8H6O4. It is a white crystalline solid that is soluble in water and organic solvents. Known for its strong acidic properties and ability to form esters and salts, isophthalic acid is widely used in chemical synthesis and industrial applications.

What are the main uses of Isophthalic acid (CAS: 121-91-5)?

Isophthalic acid (CAS: 121-91-5) is primarily used in the production of polyester resins, polyurethanes, and coatings. It also finds applications in pharmaceuticals for drug formulation, in the manufacture of dyes and pigments, and in research for developing new materials and chemical compounds.

Is Isophthalic acid (CAS: 121-91-5) safe?

Isophthalic acid (CAS: 121-91-5) is generally considered safe when handled properly. However, it can cause skin and eye irritation. Safety measures include wearing appropriate protective gear and following standard chemical handling protocols. It is classified as a mild irritant under safety guidelines.

How should Isophthalic acid (CAS: 121-91-5) be stored?

Isophthalic acid (CAS: 121-91-5) should be stored in a cool, dry, and well-ventilated area, away from moisture and direct light. It is best kept in a sealed container made of polyethylene or glass to prevent degradation and contamination. Storage conditions should maintain temperatures below 25°C for optimal stability.