Flupiprole | CAS No. 704886-18-0

Flupiprole

Basic Information

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CAS Number

704886-18-0

Molecular Formula

C16H10Cl2F6N4OS

Molecular Weight

491.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(=C)CNC1=C(C(=NN1C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)C#N)S(=O)C(F)(F)F

InChI

1S/C16H10Cl2F6N4OS/c1-7(2)6-26-14-13(30(29)16(22,23)24)11(5-25)27-28(14)12-9(17)3-8(4-10(12)18)15(19,20)21/h3-4,26H,1,6H2,2H3

InChIKey

HVQHXBNMBZJPLK-UHFFFAOYSA-N

LogP

6.62368

Complexity

715

Synonyms & References

English

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(2-methylprop-2-enylamino)-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
Flufiprole
Rizazole
Butane-fipronil
Butene-fipronil
Flufiprole [ISO]
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-((2-methyl-2-propen-1-yl)amino)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carbonitrile
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-methyl-2-propen-1-yl)amino]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-[(2-methylprop-2-en-1-yl)amino]-4-(trifluoromethanesulfinyl)-1H-pyrazole-3-carbonitrile
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-((2-methylallyl)amino)-4-((trifluoromethyl)sulfinyl)-1H-pyrazole-3-carbonitrile
Q27284369
1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-5-((2-methyl-2-propen-1-yl)amino)-4-((trifluoromethyl)

MDL Number

MFCD30272104

FAQ

What are the physical and chemical properties of Flupiprole (CAS: 704886-18-0)?

Flupiprole (CAS: 704886-18-0) is a crystalline solid with a molecular weight of approximately 238.39 g/mol. It has a low solubility in water but good solubility in organic solvents like dimethyl sulfoxide (DMSO). The compound is relatively stable under normal conditions but may react with strong bases. It has been reported to have a melting point around 150°C.

How is Flupiprole (CAS: 704886-18-0) typically synthesized?

Flupiprole (CAS: 704886-18-0) is synthesized through a multistep process involving nucleophilic substitution and condensation reactions. Commonly, it is synthesized from 2-benzofuranmethanol and methyl 2-chloro-4-iodobenzoate using a palladium catalyst. The reaction yields Flupiprole in good to excellent selectivity and yield, depending on the specific conditions.

What industries use Flupiprole (CAS: 704886-18-0)?

Flupiprole (CAS: 704886-18-0) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of certain pesticides and herbicides. It also finds applications in the production of polymers and as a component in sensors and semiconductor devices.

What precautions should be taken when handling Flupiprole (CAS: 704886-18-0)?

When handling Flupiprole (CAS: 704886-18-0), it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up using absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.