5-Hydroxyisophthalic acid

Basic Information

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CAS Number

618-83-7

Molecular Formula

C8H6O5

Molecular Weight

182.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

298-302 °C

Boiling Point

516.9°C at 760 mmHg

Density

1.3293 (rough estimate)

Flash Point

280.5℃

Solubility

0.6g/l

Refractive Index

1.4330 (estimate)

SMILES

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C1=C(C=C(C=C1C(=O)O)O)C(=O)O

InChI

InChI=1S/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)

InChIKey

QNVNLUSHGRBCLO-UHFFFAOYSA-N

LogP

0.7886

Topological Polar Surface Area

94.83 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

203

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

3,5-dicarboxyphenol
H0794
Isophthalic acid, 5-hydroxy-
MFCD00002515
SCHEMBL139644
QNVNLUSHGRBCLO-UHFFFAOYSA-
5-HIPA
BRN 2693561
CS-W017132
EN300-20270
SY006430
5-Hydroxy-1,3-benzenedicarboxylic acid
1,3-Benzenedicarboxylic acid, 5-hydroxy-
AC-11758
5-Hydroxyisosphthalic acid
NS00042244
InChI=1/C8H6O5/c9-6-2-4(7(10)11)1-5(3-6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)
EC 210-565-7
EINECS 210-565-7
5-Hydoxyisophthalic acid
W-105086
5-Oxyisophthalic acid
5-Hydroxyisophthalicacid
AM20060693
NSC302088
Z104477544
NSC-302088
5-hydroxybenzene-1,3-dicarboxylic acid
618-83-7
5-Hydroxyisophthalic acid
5-Hydroxy-Isophthalic Acid

MDL Number

MFCD00002515

Customs Code

29182990

FAQ

What are the physical and chemical properties of 5-Hydroxyisophthalic acid (CAS: 618-83-7)?

5-Hydroxyisophthalic acid is a white crystalline solid with a molecular weight of approximately 186.13 g/mol. It has a pKa of around 3.8, indicating acidity. The compound is slightly soluble in water and more soluble in common organic solvents like ethanol and acetone. It is known for its reactivity, particularly towards esterification and condensation reactions.

How is 5-Hydroxyisophthalic acid (CAS: 618-83-7) typically synthesized?

5-Hydroxyisophthalic acid is usually synthesized via the hydroxylation of isophthalic acid. The hydroxylation can be achieved using catalytic hydrogen peroxide in the presence of a suitable catalyst such as sodium hypochlorite or cobalt(II) salts. The reaction is selective and yields up to 95% of the desired product with good purity.

What industries use 5-Hydroxyisophthalic acid (CAS: 618-83-7)?

5-Hydroxyisophthalic acid is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It is also utilized in the production of polyesters and polyamides, where its unique properties contribute to material performance. Additionally, it finds applications in the manufacturing of sensors and semiconductors due to its electronic and structural characteristics.

What precautions should be taken when handling 5-Hydroxyisophthalic acid (CAS: 618-83-7)?

When handling 5-Hydroxyisophthalic acid (CAS: 618-83-7), it is essential to wear appropriate personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Handle in a well-ventilated area or fume hood to minimize inhalation risks. Ensure the spill is cleaned up immediately with appropriate absorbents and dispose of waste according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed instructions on handling and emergency procedures.