Basic information
- CAS
54774-47-9- Standard SMILES
CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1- InChIKey
RLLPVAHGXHCWKJ-PKOBYXMFSA-N- Molecular formula
- C21H20Cl2O3
- Average molar mass
- 391.3 g/mol
- Monoisotopic mass
- 390.0789499
Overview
(-)-trans-permethrin is trans-Permethrin with configuration 1S,3R.
Names & identifiers
- Preferred name
- (-)-trans-Permethrin
- IUPAC
- cis-(3-phenoxyphenyl)methyl (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
- English name
- (-)-trans-permethrin
- Molecular formula
- C21H20Cl2O3
- Molecular weight
- 391.29
Names & synonyms
(-)-TRANS-PERMETHRIN1S-trans-Permethrin54774-47-9UNII-WTX0TDW4JBWTX0TDW4JBPermethrin, (-)-trans-1S,TRANS-PERMETHRINDTXSID7058254CHEBI:62523PERMETHRIN, TRANS-(-)-3-phenoxybenzyl (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylateCyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1S,3R)
Show more names
CYCLOPROPANECARBOXYLIC ACID, 3-(2,2-DICHLOROETHENYL)-2,2-DIMETHYL-, (3-PHENOXYPHENYL)METHYL ESTER, (1S,3R)-RefChem:67981DTXCID4032168(3-phenoxyphenyl)methyl (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylateCyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1S-trans)-Permethrin transtrans-(-)-permethrin(-)-trans-NRDC-143
Database identifiers
- CAS
54774-47-9、61949-77-7- PubChem CID
- 40159
- DTXSID
DTXSID7058254
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 521
Experimental & physicochemical properties
PesticidesPesticide (Permethrin trans) -> USDA PDB
Physicochemical properties
- Boiling point
- 505.74 °C · 505.74°C (rough estimate)
- Density
- 1.1531 · 1.1531 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- form
- Liquid
- color
- Colorless to light yellow
- FDA UNII
- 0 TDW4JB · WTX0TDW4JB
- EPA Substance Registry System
- (-)-trans-Permethrin (54774-47-9)
- Toxicity
- 50 orl-mus: · LD50 orl-mus: >5 g/kg BOCKAE41,143,76
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 orl-mus: >5 g/kg BOCKAE41,143,76
Chemistry & industry
Applications
Uses(-)-trans-Permethrin ((-)-trans-NRDC-143) is a pyrethroid that can provide a satisfactory level of protection from black flies for cattle[1].
Suppliers1 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: (-)-trans-permethrin is trans-Permethrin with configuration 1S,3R.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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