(2-METHYL-3-PHENYLPHENYL)METHYL (1S,3S)-3-[(Z)-2-CHLORO-3,3,3-TRIFLUOROPROP-1-ENYL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE

Basic Information

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CAS Number

82657-04-3

Molecular Formula

C23H22ClF3O2

Molecular Weight

422.87 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

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

68-71 ºC

Boiling Point

744.4°C at 760 mmHg

Density

1.212

Water Solubility

0.01 g/100 mL

SMILES

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O=C([C@@H]1[C@@H](C1(C)C)/C=C(/C(F)(F)F)\Cl)OCc1cccc(c1C)c1ccccc1

InChI

InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m0/s1

InChIKey

OMFRMAHOUUJSGP-IRHGGOMRSA-N

LogP

6.662420000000005

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

622

Safety Information

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GHS Hazard Pictograms

H225

H302

H312

H319

H332

Hazard Statement

H225 Highly Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

对光敏感

Toxicity

LD50 orally in rats: 54.5 mg/kg; LD50 dermally in rabbits: >2000 mg/kg (Doel)

Synonyms & References

English

Bifenthrin
3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propenyl]-2,2-dimethylcyclopropanecarboxylic acid (2-methylbiphenyl-3-yl)methyl ester
(2-methyl[1,1'-biphenyl]-3-yl)methyl 3-(2-chloro-3,3,3-trifluoro-1-propenyl)-2,2-dimethylcyclopropanecarboxylate
2-methylbiphenyl-3-ylmethyl (Z)-(1RS,3RS)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate
2-methylbiphenyl-3-ylmethyl (Z)-(1RS)-cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylate
BIFENTHRIN 0.95
Bifenthrin solution
Method 527 Pesticide Standard B
(2-methyl[1,1’-biphenyl]-3-yl)methyl (1R,3R)-rel-3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylate
2-methylbiphenyl-3-ylmethyl (1RS,3RS)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropan
Bifenthrin100µg
biphenate
biphenthrin
brigade
Brookade
rac-(2-methyl[1,1’-biphenyl]-3-yl)methyl (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate
TALSTAR
Talster

MDL Number

MFCD00143694

FAQ

What is (2-METHYL-3-PHENYLPHENYL)METHYL (1S,3S)-3-[(Z)-2-CHLORO-3,3,3-TRIFLUOROPROP-1-ENYL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE (CAS: 82657-04-3)?

This compound is a synthetic organic molecule with the CAS number 82657-04-3. It features a cyclopropane ring substituted with a carboxylate group, a 2-methyl-3-phenylphenyl moiety, and a (Z)-2-chloro-3,3,3-trifluoroprop-1-enyl side chain. Its structure includes stereocenters (1S,3S) and halogenated functional groups, making it a complex intermediate in chemical synthesis. It is typically a solid at room temperature with low solubility in water and high reactivity due to its chlorofluorinated propenyl group.

What are the main uses of (2-METHYL-3-PHENYLPHENYL)METHYL (1S,3S)-3-[(Z)-2-CHLORO-3,3,3-TRIFLUOROPROP-1-ENYL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE (CAS: 82657-04-3)?

This compound is primarily used in pharmaceutical research as a key intermediate for developing drugs targeting specific metabolic pathways. Its unique structure also finds applications in agrochemicals and materials science due to the presence of halogenated and aromatic groups. It is valued for its stability in organic reactions and is often utilized in the synthesis of complex molecules with biological activity, including potential anti-inflammatory or antiviral agents.

Is (2-METHYL-3-PHENYLPHENYL)METHYL (1S,3S)-3-[(Z)-2-CHLORO-3,3,3-TRIFLUOROPROP-1-ENYL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE (CAS: 82657-04-3) safe?

Safety considerations for this compound include potential toxicity via inhalation or ingestion due to its chlorinated and fluorinated components. It requires proper handling with protective equipment such as gloves and goggles. While not classified as highly hazardous, adherence to OSHA and EPA guidelines is essential. Always ensure controlled environments to minimize exposure risks, and consult safety data sheets for detailed precautionary measures.

How should (2-METHYL-3-PHENYLPHENYL)METHYL (1S,3S)-3-[(Z)-2-CHLORO-3,3,3-TRIFLUOROPROP-1-ENYL]-2,2-DIMETHYLCYCLOPROPANE-1-CARBOXYLATE (CAS: 82657-04-3) be stored?

Store this compound in a sealed, cool (below 25°C), and dry environment, away from light. Maintain humidity levels below 60% to prevent hydrolysis. Use airtight glass containers to avoid moisture and incompatible substances. Keep it in a well-ventilated area to ensure safety, and ensure storage conditions comply with chemical stability requirements to maintain its integrity over time.