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

Basic Information

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CAS Number

73819-76-8

Molecular Formula

C10H4O3

Molecular Weight

172.14 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 Nitriles

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

123.0 to 127.0 deg-C

Boiling Point

352.4°C at 760 mmHg

Density

1.41±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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

InChI

InChI=1S/C10H4O3/c1-2-6-3-4-7-8(5-6)10(12)13-9(7)11/h1,3-5H

InChIKey

DXJLXGJIZZNCBO-UHFFFAOYSA-N

LogP

0.97850

Complexity

309

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

FT-0692719
1,3-Isobenzofurandione, 5-ethynyl-
5-ethynylisobenzofuran-1,3-dione
AC-33713
AKOS015836241
5-ethynyl-1,3-dihydro-2-benzofuran-1,3-dione
YCA81976
4-Ethynylphthalic Anhydride
CS-0319477
A925890
C10H4O3
AS-60924
DTXSID40462229
SCHEMBL278397
E0579
73819-76-8
T72893
5-ETHYNYL-2-BENZOFURAN-1,3-DIONE
MFCD06200801
5-Ethynylisobenzofuran-1,3-dione
1,3-Isobenzofurandione,5-ethynyl-
5-ethynyl-2-benzofuran-1,3-dione
CKK 1
FF Monomer 301
KK 1
4-EthynylphthalicAnhydride
1463AC
FCH1122645
AX8097054

MDL Number

MFCD06200801

Customs Code

2932999099

FAQ

What are the physical and chemical properties of 5-Ethynyl-2-benzofuran-1,3-dione (CAS: 73819-76-8)?

5-Ethynyl-2-benzofuran-1,3-dione is a crystalline solid with a molecular weight of approximately 216.23 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound exhibits strong reactivity towards nucleophiles and can undergo electrophilic aromatic substitution reactions. It has a melting point of around 190-193°C.

How is 5-Ethynyl-2-benzofuran-1,3-dione (CAS: 73819-76-8) typically synthesized?

5-Ethynyl-2-benzofuran-1,3-dione is commonly synthesized via a multi-step process involving the formation of a benzofuran ring followed by alkylation and acylation. The reaction typically uses acetic anhydride and ethynylbenzene as the key reagents, with a Lewis acid like aluminum chloride as a catalyst. The yield is generally around 70-80%.

What industries use 5-Ethynyl-2-benzofuran-1,3-dione (CAS: 73819-76-8)?

5-Ethynyl-2-benzofuran-1,3-dione finds applications in various industries, particularly in pharmaceuticals for its potential as a scaffold for drug discovery, in polymer science for its use as a monomer, and in sensors due to its photochemical properties. It is also used in the semiconductor industry for specific applications requiring aromatic compounds.

What precautions should be taken when handling 5-Ethynyl-2-benzofuran-1,3-dione (CAS: 73819-76-8)?

When handling 5-Ethynyl-2-benzofuran-1,3-dione, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood to avoid inhalation or skin contact. In case of spills, evacuate the area and clean up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.