Cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate | CAS No. 70124-77-5

Q: What precautions should be taken when handling Cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate (CAS: 70124-77-5)?

When handling Cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate (CAS: 70124-77-5), it is important to use proper personal protective equipment (PPE), such as gloves and safety goggles. Work should be conducted in a well-ventilated area or under a fume hood. Spills should be handled carefully, and a Safety Data Sheet (SDS) should be consulted for detailed guidelines on disposal and emergency response.

Cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate

Basic Information

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CAS Number

70124-77-5

Molecular Formula

C26H23F2NO4

Molecular Weight

17.03 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 Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

<25 ºC

Boiling Point

108°C

Density

1.189 g/cm3 (22 ºC)

Solubility

Insuluble (5.0E-5 g/L) (25 ºC),

Refractive Index

1.541 (589.3 nm 25 ºC)

SMILES

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CC(C)C(C1=CC=C(C=C1)OC(F)F)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H23F2NO4/c1-17(2)24(18-11-13-21(14-12-18)32-26(27)28)25(30)33-23(16-29)19-7-6-10-22(15-19)31-20-8-4-3-5-9-20/h3-15,17,23-24,26H,1-2H3

InChIKey

GBIHOLCMZGAKNG-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

650

Safety Information

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GHS Hazard Pictograms

H301

H312

H331

H410

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H331 Toxic if inhaled
Acute toxicity, inhalation

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Sensitiveness

light-sensitive

Synonyms & References

English

(+/-)-CYANO-(3-PHENOXYPHENYL)METHYL (+)-4-(DIFLUOROMETHOXY)-.ALPHA.-(1-METHYLETHYL)BENZENEACETATE
Flucythrinate [ISO]
EPA Pesticide Chemical Code 118301
(+)-alpha-cyano-m-phenoxybenzyl (+)-alpha-isopropyl-4-difluoromethoxyphenylacetate
Cyano(3-phenoxyphenyl)methyl 2-(4-(difluoromethoxy)phenyl)-3-methylbutyrate
57D0GAO3RX
BRN 2195795
Flucythrinate 100 microg/mL in Isooctane
(+-)-Cyano(3-phenoxyphenyl)methyl(+)-4-(difluoromethoxy)-alpha-(1-methylethyl)benzeneacetate
(RS)-alpha-Cyano-3-phenoxybenzyl (S)-2-(4-difluoromethoxyphenyl)-3-methylbutyrate
UNII-57D0GAO3RX
(RS)-Cyano-(3-phenoxyphenyl)methyl (S)-4-(difluoromethoxy)-alpha-(1-methylethyl)benzeneacetate
HSDB 6647
Fluorocythrin
Caswell No. 002AA
Pay Off
AC-12669
DTXSID0022301
Fluorocythrin; Pay-Offv;AC 222705; CyBolt
AC 222705
Cythrin
(+-)-alpha-Cyano-m-phenoxy-benzyl (+)-2-(p-difluoromethoxy)phenyl-3-methylbutyrate
Flucythrinate 10 microg/mL in Cyclohexane
(+-)-cyano-(3-phenoxyphenyl)methyl (+)-4-(difluoromethoxy)-alpha-(methylethyl)benzeneacetate
[cyano-(3-phenoxyphenyl)methyl] 2-[4-(difluoromethoxy)phenyl]-3-methyl-butanoate
EINECS 274-322-7
FLUCYTHRINATE [MI]
FLUCYTHRINATE [HSDB]
70124-77-5
Q1430580
(RS)-CYANO-(3-PHENOXYPHENYL)METHYL (S)-4-(DIFLUOROMETHOXY)-.ALPHA.-(1-METHYLETHYL)BENZENEACETATE

MDL Number

MFCD00137383

Customs Code

2926909037

FAQ

What are the physical and chemical properties of Cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate (CAS: 70124-77-5)?

Cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate (CAS: 70124-77-5) is a crystalline compound with a high molecular weight. It exhibits low solubility in water but is soluble in organic solvents. Chemically, it is moderately reactive, showing good stability under normal conditions but reacting with strong acids and bases. Its reactivity is typical of esters, with potential for hydrolysis under certain conditions.

How is Cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate (CAS: 70124-77-5) typically synthesized?

Cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate (CAS: 70124-77-5) is synthesized via a multistep process involving the formation of a phenoxy derivative followed by cyanation and esterification. Commonly used catalysts include Lewis acids, and the reaction yields are generally good, with high purity products obtained through careful purification techniques.

What industries use Cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate (CAS: 70124-77-5)?

Cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate (CAS: 70124-77-5) finds applications in pharmaceuticals, where it is used as an intermediate in the synthesis of drugs. It is also utilized in the polymer industry for modifying properties of polymers and in the sensor industry for its sensing capabilities.

What precautions should be taken when handling Cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate (CAS: 70124-77-5)?

When handling Cyano(3-phenoxyphenyl)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate (CAS: 70124-77-5), it is important to use proper personal protective equipment (PPE), such as gloves and safety goggles. Work should be conducted in a well-ventilated area or under a fume hood. Spills should be handled carefully, and a Safety Data Sheet (SDS) should be consulted for detailed guidelines on disposal and emergency response.