(S)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate
Basic information
- CAS
64363-96-8- Standard SMILES
CC1(C)[C@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1- InChIKey
OWZREIFADZCYQD-GGPKGHCWSA-N- Molecular formula
- C22H19Br2NO3
- Average molar mass
- 505.2 g/mol
- Monoisotopic mass
- 502.97317
Names & identifiers
- Preferred name
- (S)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate
- IUPAC
- cis-[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
- English name
- TRANS-DELTAMETHRIN)
- Molecular formula
- C22H19Br2NO3
- Molecular weight
- 505.2
Names & synonyms
64363-96-8RefChem:211136(S)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylatetrans-Deltamethrin1S,3R,alphaR-DeltamethrinC22H19Br2NO3TRANS-DELTAMETHRIN)[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylateDTXSID10110063Deltamethrin trans-isomer; (1S,3R,a-R) isomertrans-Deltamethrin 100 microg/mL in Acetonitrile(S)-Cyano(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dibromoethen-1-yl)-2,2-dimethylcyclopropane-1-carboxylate
Show more names
RU-269791R,3S,aS-Delta methrinCarbazochrome Impurity 33trans-Deltamethrin in acetonitriletrans-Deltamethrin 100 μg/mL in Acetonitrile(1R,3S)-3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid (S)-α-cyano-3-phenoxybenzyl ester(1R,3S)-3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropanecarboxylic acid (S)-cyano(3-phenoxyphenyl)methyl ester
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 643
Physicochemical properties
- Boiling point
- 535.8 · 535.8±50.0 °C(Predicted)
- Density
- 1.5214 · 1.5214 (rough estimate)
- refractive index
- 1.622 · 1.6220 (estimate)
- solubility
- Acetone (Sparingly), DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Oil to Solid
- color
- Colourless to Pale Yellow
- Stability
- Hygroscopic, Light Sensitive, Moisture Sensitive, Temperature Sensitive
- EPA Substance Registry System
- 3 · Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, (S)-cyano(3-phenoxyphenyl)methyl ester, (1R,3S)- (64363-96-8)
- RIDADR
- 2588 · 2588
- HazardClass
- 6.1 · 6.1(a)
- PackingGroup
- II
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
- ridadr
- 2588
- hazard_class
- 6.1(a)
- packing_group
- II
Chemistry & industry
Applications
Usestrans-Deltamethrin, is trans isomer of Deltamethrin (D230700), a synthetic pyrethroid insecticide, which acts as a potent inhibitor of calcineurin (protein phosphatase 2B) and has an IC50 of about 100pM.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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