Dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate

Basic Information

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CAS Number

61260-15-9

Molecular Formula

C10H11O5P

Molecular Weight

242.17 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

Agricultural Chemicals Pesticides Insecticides

Basic Physical Properties

Melting Point

97-99 ºC

Boiling Point

402.0±45.0°C at 760 mmHg

Density

1.35

SMILES

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COP(=O)(OC)C1OC(=O)c2ccccc12

InChI

InChI=1S/C10H11O5P/c1-13-16(12,14-2)10-8-6-4-3-5-7(8)9(11)15-10/h3-6,10H,1-2H3

InChIKey

KEKUNQAVGWOYDW-UHFFFAOYSA-N

LogP

2.3415

Topological Polar Surface Area

61.830000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

321

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

Dimethyl (3-oxo-1,3-dihydroisobenzofuran-1-yl)phosphonate
3-oxo-1,3-dihydroisobenzofuran-1-ylphosphonic acid
DIMETHYL 3-OXO-1,3-DIHYDROISOBENZOFURAN-1-YLPHOSPHONATE
(3-oxo-1,3-dihydro-isobenzofuran-1-yl) phosphonic acid dimethyl ester
3-dimethoxyphosphoryl-3H-isobenzofuran-1-one
dimethyl 3-oxo-1,3-dihydro-2-benzofuran-1-ylphosphonate
dimethyl phthalide-3-phosphonate
(3-Oxo-1,3-dihydroisobenzofuran-1-yl)phosphonic acid dimethyl ester
C10H11O5P
KEKUNQAVGWOYDW-UHFFFAOYSA-N
9166AB
dimethyl 3-oxobenzo[c]furan-1-ylphosphonate
AX8222994
ST24046596
dimethyl 3-oxo-1,3,-dihydroisobenzofura

MDL Number

MFCD16883476

Customs Code

2932209090

FAQ

What are the physical and chemical properties of Dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate (CAS: 61260-15-9)?

Dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate has a crystalline form and a molecular weight of approximately 262.24 g/mol. It is slightly soluble in water but soluble in organic solvents. The compound exhibits moderate reactivity, especially in the presence of strong bases. It is stable under normal conditions but should be handled with care due to its chemical nature.

How is Dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate (CAS: 61260-15-9) typically synthesized?

Dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate is typically synthesized via a multistep organic synthesis route involving the use of phosphorus reagents and benzofuran derivatives. The process involves careful control of reaction conditions to achieve high selectivity and yield, often requiring the use of mild catalysts and maintaining an anhydrous environment.

What industries use Dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate (CAS: 61260-15-9)?

Dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate is used in a variety of industries. It is particularly important in the pharmaceutical sector for the synthesis of certain drugs, as well as in the polymer industry for the modification of polymers. Additionally, it finds applications in the development of sensors and semiconductors.

What precautions should be taken when handling Dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate (CAS: 61260-15-9)?

When handling Dimethyl (3-oxo-1,3-dihydro-2-benzofuran-1-yl)phosphonate, it is crucial to use appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be done in a fume hood to minimize exposure to vapors. Ensure proper storage and disposal according to safety data sheet (SDS) guidelines to prevent environmental contamination and ensure worker safety.