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82657-04-3 molecular structure
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(2-methyl-3-phenylphenyl)methyl (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate

ChemBase ID: 162049
Molecular Formular: C23H22ClF3O2
Molecular Mass: 422.8677896
Monoisotopic Mass: 422.12604228
SMILES and InChIs

SMILES:
c1c(c(c(cc1)c1ccccc1)C)COC(=O)[C@H]1C([C@H]1/C=C(\Cl)/C(F)(F)F)(C)C
Canonical SMILES:
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

Cite this record

CBID:162049 http://www.chembase.cn/molecule-162049.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-methyl-3-phenylphenyl)methyl (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropane-1-carboxylate
IUPAC Traditional name
bifenthrin
Synonyms
(1R,3R)-rel-3-[(1Z)-2-Chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethylcyclopropanecarboxylic Acid (2-Methyl[1,1'-biphenyl]-3-yl)methyl Ester
Bifenthrine
Biphenate
Biphenthrin
Biphentrin
Capture
Discipline
Empower
FMC 54800
Fanfare
Kiros EV
Onyx
Semafor
Silencer
Talstar
Bifenthrin
CAS Number
82657-04-3
PubChem SID
162256184
PubChem CID
6442842

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B383000 external link Add to cart
PubChem 6442842 external link
Data Source Data ID Price
TRC
B383000 external link Add to cart Please log in.
Data Source Data ID
PubChem 6442842 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 6.589956  LogD (pH = 7.4) 6.589956 
Log P 6.589956  Molar Refractivity 109.1416 cm3
Polarizability 42.191174 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Methanol expand Show data source
Apperance
White Solid expand Show data source
Melting Point
67-70°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - B383000 external link
Third generation synthetic pyrethroid. Insecticide, acaricide.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Plummer, E.L., et al.: Pestic. Sci., 14, 560 (1983)
  • • Trumble, J.T., et al.: J. Econ. Entomol., 81, 608 (1983)
  • • Ross, M., et al.: Biochem. Pharmacol., 71, 657 (1983)
  • • Hillegass, J., et al.: Toxicol. Sci., 102, 413 (1983)
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PATENTS

PATENTS

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INTERNET

INTERNET

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