(1R,3S)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid

C8H10Cl2O2CAS 55701-03-6209.07 g/mol

Open in Covalent MOL file
ClClOOH
AlkeneCarboxylic acidVinyl halide

Properties

Molecular formula
C8H10Cl2O2
Molar mass
209.07 g/mol
Exact mass
208.0058 Da
Melting point
70–71 °C
logP
2.66Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Stereocentres
S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
55701-03-6
SMILES
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)O
InChIKey
LLMLSUSAKZVFOA-XINAWCOVSA-N
InChI
InChI=1S/C8H10Cl2O2/c1-8(2)4(3-5(9)10)6(8)7(11)12/h3-4,6H,1-2H3,(H,11,12)/t4-,6+/m1/s1

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Names and synonyms

7 names
  • Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (1R,3S)-
  • Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (1R-trans)-
  • 1R-trans-Permethric acid
  • 1R-trans-Permethrinic acid
  • (1R)-(+)-trans-Permethrinic acid
  • (1R)-trans-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid
  • (1R)-trans-3-(2,2-Dichloro-1-ethenyl)-2,2-dimethylcyclopropanecarboxylic acid

Work with (1R,3S)-3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Permethric acid55701-05-8Stereo not defined

Similar compounds

Rel-(1R,3R)-3-(2-Chloro-3,3,3-trifluoro-1-propen-1-yl)-2,2-dimethylcyclopropanecarboxylic acid72748-35-765 % similar 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl chloride52314-67-764 % similar Renofluthrin352271-52-441 % similar Transfluthrin118712-89-340 % similar Chlorempenthrin54407-47-540 % similar Permethrin52645-53-138 % similar 2,2-Dimethyl cyclopropyl carboxylic acid75885-59-536 % similar Chlorendic acid115-28-636 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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