5-Methyl-2-benzofuran-1,3-dione

Basic Information

View in Editor

CAS Number

19438-61-0

Molecular Formula

C9H6O3

Molecular Weight

162.14 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

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

89.0 to 94.0 deg-C

Boiling Point

299°C

Refractive Index

1.5380 (estimate)

SMILES

View in Editor

CC1=CC2=C(C=C1)C(=O)OC2=O

InChI

InChI=1S/C9H6O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2-4H,1H3

InChIKey

ZOXBWJMCXHTKNU-UHFFFAOYSA-N

LogP

1.30562

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

234

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Sensitive to humidity

Synonyms & References

English

5-Methyl-2-benzofuran-1,3-dione
4-Methylphthalicanhydride
Tox21_303399
19438-61-0
NCGC00259763-01
AKOS000121253
Tox21_202214
Phthalic anhydride, 4-methyl-
5-methylisobenzofuran-1,3-dione;Resorcinol dibenzoate
4-methyl-phthalic anhydride
4-Methylphthalic anhydride, 95%
CAS-19438-61-0
1938-61-0
DTXSID5027805
AS-13386
EINECS 243-073-6
EN300-19027
5-methyl-1,3-dihydro-2-benzofuran-1,3-dione
2P2740FPCK
W-107700
5-Methyl-2-benzofuran-1,3-dione #
FT-0692772
F0001-0695
5-METHYLISOBENZOFURAN-1,3-DIONE
NCGC00164147-02
4-methyphthalic anhydride
NS00026339
Q27255318
NCGC00257380-01
UNII-2P2740FPCK
CHEMBL1882541

MDL Number

MFCD00041856

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 5-Methyl-2-benzofuran-1,3-dione (CAS: 19438-61-0)?

5-Methyl-2-benzofuran-1,3-dione (CAS: 19438-61-0) is a crystalline solid with a molecular weight of approximately 188.16 g/mol. It has a melting point of 182-183°C and is slightly soluble in water. This compound is known for its aromatic nature and exhibits limited reactivity under normal conditions. It is stable under standard laboratory conditions but should be stored away from reducing agents and moisture.

How is 5-Methyl-2-benzofuran-1,3-dione (CAS: 19438-61-0) typically synthesized?

5-Methyl-2-benzofuran-1,3-dione (CAS: 19438-61-0) is typically synthesized via a Friedel-Crafts acylation reaction. The process involves reacting benzofuran with acetyl chloride in the presence of aluminum chloride as a catalyst. The reaction is carried out at elevated temperatures, and the yield is generally around 80-90%. Selectivity and purity can be enhanced through careful control of reaction conditions.

What industries use 5-Methyl-2-benzofuran-1,3-dione (CAS: 19438-61-0)?

5-Methyl-2-benzofuran-1,3-dione (CAS: 19438-61-0) is used in various industries, including pharmaceuticals for its potential as a precursor to drugs, and in the polymer industry for its use as a monomer in the synthesis of functional polymers. It also finds applications in the production of sensors due to its unique optical and electronic properties.

What precautions should be taken when handling 5-Methyl-2-benzofuran-1,3-dione (CAS: 19438-61-0)?

When handling 5-Methyl-2-benzofuran-1,3-dione (CAS: 19438-61-0), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood to prevent inhalation of any vapors. Spills should be handled carefully using appropriate cleanup materials. Always refer to the Safety Data Sheet (SDS) for detailed information on proper handling and disposal methods.