Basic information
- CAS
52820-00-5- Standard SMILES
CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1- InChIKey
OWZREIFADZCYQD-UHFFFAOYSA-N- Molecular formula
- C22H19Br2NO3
- Average molar mass
- 505.2 g/mol
- Monoisotopic mass
- 502.97316767
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1alpha(S*),3alpha))-
- IUPAC
- [cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
- English name
- Deltamethrin
- Molecular formula
- C22H19Br2NO3
- Molecular weight
- 505.2
Names & synonyms
Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1R-[1.alpha.(S*),3.alpha.]]-Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1.alpha.(S*),3.alpha.))-RefChem:581165Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, (1R-(1alpha(s*),3alpha))-52820-00-5RU 22950Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl esterCyano(3-phenoxyphenyl)methyl 3-(2,2-dibromovinyl)-2,2-dimethylcyclopropanecarboxylateDeltamethrin-d5MFCD00870122[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylateC22H19Br2NO3
Show more names
Carbazochrome Impurity 30[Cyano-[3-(phenoxy)phenyl]methyl] 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Synthetic pyrethrinsCaswell No. 463BDeltamethrin D5-13C (M+6)(S)-alpha-cyano-3-phenoxybenzyl-(1R)-cis-3-(2,2-dibromvinyl)-2,2-dimethylcyclopropancarboxylateNRDC 16NRDC 156NRDC 1581S,3R,alphaR-Deltamethrin
Database identifiers
- CAS
52820-00-5、52918-63-5- PubChem CID
- 2982
- DTXSID
DTXSID8041822- Nikkaji
- J2.987.112D
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
- 1.595 · 1.595±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 3 · Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester (52820-00-5)
Safety & regulation
Hazard information
Other Safety InformationIMAP assessments - Cyclopropanecarboxylic acid, 3-(2,2-dibromoethenyl)-2,2-dimethyl-, cyano(3-phenoxyphenyl)methyl ester, [1R-[1.alpha.(S*),3.alpha.]]-: Human health tier I assessment
Related reactions
1 records
Compound notes
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