Cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate

Basic Information

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CAS Number

51630-58-1

Molecular Formula

C25H22ClNO3

Molecular Weight

419.9 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

54-59℃

Boiling Point

300 ºC

Water Solubility

Soluble in 100% ethanol (>25 mg/ml), water (0.001 g/L) at 20°C, and DMSO.

Flash Point

279.7ºC

Refractive Index

nD20 1.5533

SMILES

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CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3

InChI

InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3

InChIKey

NYPJDWWKZLNGGM-UHFFFAOYSA-N

LogP

6.67998

Complexity

586

Safety Information

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GHS Hazard Pictograms

H301

H315

H319

H335

H410

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

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

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

Hazard Class

Class 6.1(b) Class 6.1(b)

Sensitiveness

对光敏感

Toxicity

LD50 orally in rats: 451 mg/kg (DMSO); >3200 mg/kg (aqueous suspension), Shell Technical Data Bulletin

Synonyms & References

English

Cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate
α-Cyano-3-phenoxy benzyl(R,S)-2-(4- chlorophenyl)-3-methyl butyrate
Phenvalerate
Cyano (3-phenoxybenzyl)-2-(4-chlorophenyl)-3-methylbutyrate
4-Chloro-alpha-(1-methylethyl)benzeneacetic acid cyano(3-phenoxyphenyl)methyl ester
Cyano-(3-phenoxyphenyl)methyl 4-chloro-alpha-(1-methylethyl)benzene acetate
Belmark
Ectrin
Extrin
Fenkill
Pydrin
SD 43775
Sumicidin
Sumicide
Sumifly
Sumipower
Sumitox
Fenvalerate solution
Fenvalerate
Fenvalerate E.C.
4-Chloro-α-(1-methylethyl)benzeneacetic acid cyan
Benzeneacetic acid, 4-chloro-α-(1-methylethyl)-, cyano(3-phenoxyphenyl)methyl ester
Cyano(3-phenoxyphenyl)methyl 4-chloro-α-(1-methylethyl)benzeneacetate
Fenvalerate100µg
S 5602
Sanmarton
WL 43775
α-Cyano-3-phenoxybenzyl 2-(4-chlorophenyl)isovalerate
α-Cyano-3-phenoxybenzyl-2-(4-chlorophenyl)-3-methylbutyrate
Cyano-(3-phenoxyphenyl)methyl 4-chloro-alpha-(1-methyl

MDL Number

MFCD00055324

FAQ

What is Cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate (CAS: 51630-58-1)?

Cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate is a chemical compound with the CAS number 51630-58-1. It is a complex organic molecule with a cyano group, phenoxyphenyl group, and a 2-(4-chlorophenyl)-3-methylbutanoate moiety. This compound is commonly used in pharmaceutical and industrial applications due to its specific functional groups and chemical structure.

What are the main uses of Cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate (CAS: 51630-58-1)?

Cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate (CAS 51630-58-1) is primarily used in pharmaceuticals as an intermediate or raw material for the synthesis of other compounds. It also finds applications in the industrial sector for its specific chemical properties, such as solubility and reactivity.

Is Cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate (CAS: 51630-58-1) safe?

Cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate (CAS 51630-58-1) is generally considered safe for industrial use under proper handling and storage conditions. However, it should be handled with care due to its potential for skin irritation and inhalation hazards. Protective measures include the use of personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. Ensure proper ventilation and avoid contact with eyes and skin.

How should Cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate (CAS: 51630-58-1) be stored?

Cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate (CAS 51630-58-1) should be stored in a cool, dry place away from direct sunlight. It is recommended to keep it in a tightly sealed container to prevent degradation. Store it at a temperature not exceeding 25°C and maintain relative humidity below 60%. Handling should be done in a well-ventilated area, and the container should be labeled clearly to prevent misuse.