4,7-dichloro-1,3-dihydro-2-benzofuran-1,3-dione

Inquiry

Molecular Formula:

C8H2Cl2O3

Molecular Weight:

217.006

CAS Number:

4466-59-5

Catalog Number:

4466-59-5

Product Information

Molecular Formula:

C8H2Cl2O3

Molecular Weight:

217.006

Description

Stability: Moisture SensitiveApplications: 3,6-Dichlorophthalic Anhydride is an intermediate in the synthesis of phthalic compounds, phthalazines, and quinones with antimicrobial activity.

Synonyms

3,6-Dichlorophthalicanhydride; 4466-59-5; 4,7-Dichloroisobenzofuran-1,3-dione; 4,7-dichloro-2-benzofuran-1,3-dione; 1,3-Isobenzofurandione,4,7-dichloro-; 4,7-dichloro-1,3-dihydro-2-benzofuran-1,3-dione

IUPAC Name

4,7-dichloro-2-benzofuran-1,3-dione

Canonical SMILES

C1=CC(=C2C(=C1Cl)C(=O)OC2=O)Cl

InChI

InChI=1S/C8H2Cl2O3/c9-3-1-2-4(10)6-5(3)7(11)13-8(6)12/h1-2H

InChI Key

HEGLMCPFDADCAQ-UHFFFAOYSA-N

Boiling Point

339ºC at 760mmHg

Melting Point

188-190ºC

Purity

95%

Density

1.715g/cm3

Appearance

off-white to white powder

Storage

Hygroscopic, Refrigerator, under inert atmosphere

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

XLogP3

2.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

215.9380993 g/mol

Monoisotopic Mass

215.9380993 g/mol

Topological Polar Surface Area

43.4Å²

Heavy Atom Count

Formal Charge

Complexity

240

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

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JP-2021127455-A	Method for producing polyarylene sulfide	2020-02-14

The molarity calculator equation

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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