3-(4-chlorobenzylidene)isobenzofuran-1(3H)-one

Basic Information

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CAS Number

20526-97-0

Molecular Formula

C15H9ClO2

Molecular Weight

256.69 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

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

153.0 to 158.0 deg-C

Boiling Point

408.9℃ at 760 mmHg

Density

1.4±0.1 g/cm3

Flash Point

220.4±24.2 °C

Refractive Index

1.69

Vapor Pressure

0.0±1.0 mmHg at 25°C

SMILES

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C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)Cl)OC2=O

InChI

InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H/b14-9-

InChIKey

OHRFHJYUEWVXBD-ZROIWOOFSA-N

LogP

4.008500000000002

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

356

Safety Information

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Hazard Statement

Synonyms & References

English

3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one
3-(4-Chlorobenzal)phthalide
3-((4-Chlorophenyl)methylene)phthalide
4-chlorobenzylidene phthalide
3-(4-chlorobenzylidene)-2-benzofuran-1(3H)-one
3-(4-Chlorobenzilidene)isobenzofuran-1(3H)-one
4-CHLOROBENZYLIDENE PHTHALIDE
L0K2E542PL
3-[(4-Chlorophenyl)methylidene]-2-benzofuran-1(3H)-one
AKOS028110925
EINECS 243-862-5
DTXSID10942700
3-(p-Chlorobenzylidene)phthalide
C73888
3-(4-chlorobenzylidene)isobenzofuran-1(3H)-one
MFCD02683417
3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one
NS00050987
DB-122391
3-[(4-Chlorophenyl)methylene]-1(3H)-isobenzofuranone
UNII-L0K2E542PL
20526-97-0
OHRFHJYUEWVXBD-UHFFFAOYSA-N
SCHEMBL2431305
SY038111

MDL Number

MFCD02683417

FAQ

What is 3-(4-chlorobenzylidene)isobenzofuran-1(3H)-one (CAS: 20526-97-0)?

3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one (CAS: 20526-97-0) is a synthetic compound with a molecular formula of C15H10ClO2. It is a yellow crystalline solid with a distinctive odor. This compound is characterized by its aromatic and ketone functionalities, making it versatile for various applications.

What are the main uses of 3-(4-chlorobenzylidene)isobenzofuran-1(3H)-one (CAS: 20526-97-0)?

3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one (CAS: 20526-97-0) is primarily used as an intermediate in the synthesis of pharmaceuticals, particularly in the development of antifungal and antibacterial agents. It is also employed in the chemical industry for the production of dyes and pigments.

Is 3-(4-chlorobenzylidene)isobenzofuran-1(3H)-one (CAS: 20526-97-0) safe?

3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one (CAS: 20526-97-0) can be handled safely with appropriate protective measures. It is important to wear gloves and safety goggles during handling. This compound is toxic and should be stored in a cool, dry place away from direct sunlight and heat sources to minimize the risk of decomposition.

How should 3-(4-chlorobenzylidene)isobenzofuran-1(3H)-one (CAS: 20526-97-0) be stored?

3-(4-Chlorobenzylidene)isobenzofuran-1(3H)-one (CAS: 20526-97-0) should be stored in a tightly sealed container at a temperature not exceeding 25°C and in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a well-ventilated area to prevent the formation of explosive mixtures with air.