3-(3,5-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate

Basic Information

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CAS Number

148477-71-8

Molecular Formula

C21H24Cl2O4

Molecular Weight

411.32 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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

101-108°

Boiling Point

550.2 °C at 760 mmHg

Density

1.28

Flash Point

4 °C

Solubility

Chloroform (Slightly), DMSO, Methanol (Sparingly)

Refractive Index

1.57

Vapor Pressure

0.0±1.5 mmHg at 25°C

SMILES

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CCC(C(=O)OC1=C(C(=O)OC21CCCCC2)c1ccc(cc1Cl)Cl)(C)C

InChI

InChI=1S/C21H24Cl2O4/c1-4-20(2,3)19(25)26-17-16(13-10-14(22)12-15(23)11-13)18(24)27-21(17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3

InChIKey

OYNVHVAEOLJJPV-UHFFFAOYSA-N

LogP

5.943600000000004

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

634

Safety Information

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GHS Hazard Pictograms

H317

Hazard Statement

H317 May cause an allergic skin reaction
Sensitization, Skin

Toxicity

LD50 in rats (mg/kg): >2500 orally; >2000 dermally (24 hr); LC50 (4 hr) in rats (mg/m3): >5000 by inhalation; LC50 (96 hr) in fish: >68 mg/l (Wachendorff)

Synonyms & References

English

Spirodiclofen
3-(2,4-DICHLOROPHENYL)-2-OXO-1-OXASPIRO[4.5]DEC-3-EN-4-YL) 2,2-DIMETHYLBUTYRATE
Spirodiclofen, Pestanal
baj2740
spirodiclofen(bsi, pa iso)
[3-(2,4-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2,2-dimethylbutanoate
Spirodiclofen solution
BAJ-2740
2,2-dimethyl-3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-yl butanoate
3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate
3-(2,4-dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutyrate
Envidor
Spirodiclofen [ISO]
SPIRODICLOFEN 10 NG
UL PESTANAL
FREE SAMPLE NCV SPIRODICLOFEN
Spirodiclofen solution
SPIRODICLOFEN 10 NG/UL PESTANAL
Spirodiclofen 100mg [148477-71-8]
SPIRODICLOFEN

MDL Number

MFCD04972571

FAQ

What is 3-(3,5-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate (CAS: 148477-71-8)?

3-(3,5-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate (CAS: 148477-71-8) is a synthetic organic compound with a complex structure featuring a spirocycle and ester functional group. It is typically used in specialized chemical applications. The compound is known for its stability under normal conditions and is often encountered in research and pharmaceutical settings.

What are the main uses of 3-(3,5-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate (CAS: 148477-71-8)?

This compound is primarily used in pharmaceutical research for the development of drugs, particularly in areas involving anti-inflammatory or antiviral agents. It may also find applications in organic synthesis and as an intermediate in the production of various chemical products. Its specific uses are often tailored to its structural properties and reactivity.

Is 3-(3,5-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate (CAS: 148477-71-8) safe?

The safety of 3-(3,5-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate (CAS: 148477-71-8) depends on its handling and exposure conditions. It is generally considered safe when used in controlled environments, but proper protective measures such as gloves and ventilation are recommended. As with many organic compounds, it should be handled with care to avoid inhalation or skin contact.

How should 3-(3,5-Dichlorophenyl)-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl 2,2-dimethylbutanoate (CAS: 148477-71-8) be stored?

This compound should be stored in a cool, dry, and dark place, away from moisture and light. It is best kept in a sealed container at a temperature below 25°C. Storage in a well-ventilated area is also recommended to prevent any potential chemical reactions. Proper labeling and secure storage are essential to ensure safety and maintain product integrity.