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Transfluthrin

CAT: 0127-BUP06710-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06710-02Size:10 mg
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CAS Number
118712-89-3
Purity
=98%
Smiles
CC1(C)[C@H](C=C(Cl)Cl)[C@@]1(Cc1c(F)c(F)cc(F)c1F)C(O)=O

Chemical Information

Transfluthrin

Transfluthrin is a carboxylic ester obtained by formal condensation of 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and 2,3,5,6-tetrafluorobenzyl alcohol. It has a role as a pyrethroid ester insecticide. It is a carboxylic ester, an organochlorine compound, an organofluorine compound and a member of cyclopropanes. It is functionally related to a 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid.

CAS Number118712-89-3
PubChem CID656612
IUPAC Namecis-(2,3,5,6-tetrafluorophenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular FormulaC15H12Cl2F4O2
Molecular Weight371.2
XLogP5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity482
SMILES
CC1([C@@H]([C@H]1C(=O)OCC2=C(C(=CC(=C2F)F)F)F)C=C(Cl)Cl)C
InChI
InChI=1S/C15H12Cl2F4O2/c1-15(2)7(3-10(16)17)11(15)14(22)23-5-6-12(20)8(18)4-9(19)13(6)21/h3-4,7,11H,5H2,1-2H3/t7-,11+/m1/s1
InChIKey
DDVNRFNDOPPVQJ-HQJQHLMTSA-N
Chemical Structure
2D Structure
2D structure of Transfluthrin
CAS: 118712-89-3
CID: 656612
Formula: C15H12Cl2F4O2
MW: 371.2
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.2
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass370.0150477
Monoisotopic Mass370.0150477
Topological Polar Surface Area26.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity482
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
CS-T-87327Transfluthrin
290929-01Transfluthrin discontinued
HY-W075176RTransfluthrin (Standard)
TRC-T714815-1G(1S,3R)-Transfluthrin
S-63751000 ug/mL Transfluthrin in Acetonitrile
CS-O-43059Transfluthrin 1R-cis isomer standard (1R 3R isomer)

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