3-(2,2-Dichlorvinyl)-2,2-dimethylcyclopropancarbonsure

Permethric acid

HCID 91658CAS 55701-05-8

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Grundinformationen

Standard-SMILES: CC1(C)C(C=C(Cl)Cl)C1C(=O)O
InChIKey: LLMLSUSAKZVFOA-UHFFFAOYSA-N
Summenformel: C8H10Cl2O2
Durchschnittliche Molmasse: 209,07 g/mol
Monoisotopische Masse: 208,00578492

Überblick

3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid is an organochlorine compound. It is functionally related to a cyclopropanecarboxylic acid.

Namen und Bezeichner

Bevorzugter Name: Permethric acid
IUPAC: 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
Lokaler Name: 3-(2,2-Dichlorvinyl)-2,2-dimethylcyclopropancarbonsure
Englischer Name: Permethric acid
Summenformel: C8H10Cl2O2
Molmasse: 209.07

Namen und Synonyme

55701-05-83-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acidPermethric acidCHEBI:393083-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropane carboxylic acidCDCCA compoundTDCCA compoundCL2CARefChem:92104259-768-23-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

Weitere Namen anzeigen

Permethrinic acidST005514trans-dcvaPermethrin acid3-(2,2-dichloroeDCVC Acid (Permethrin EP Impurity F)Permethrinic Acid (cis/trans mixture)Permethrinic acid 10 μg/mL in Methanol

55701-03-6Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-MFCD001379373-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane-1-carboxylic acid3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarboxylic acidPermethrinic Acid(cis/trans mixture)1R-cis-Permethric acidEINECS 259-768-2

Datenbank-Bezeichner

CAS: 55701-05-8
PubChem CID: 91658
DTXSID: DTXSID5028039
ChEMBL: CHEMBL5307087
ChEBI: CHEBI:39308
EC Number: 259-768-2
Nikkaji: J34.937B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,3
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 241

Experimentelle und physikochemische Eigenschaften

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

Physikochemische Eigenschaften

Schmelzpunkt: 58.33 °C · 58.33 °C
Siedepunkt: 92 · 92-94.5 °C
Dichte: 1.433 · 1.433±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 4.09 · 4.09±0.33(Predicted)
Farbe: White to Pale Yellow
Henry's Law Constant: 1.9 · 1.9×101 mol/(m3Pa) at 25℃, Zhang et al. (2010)
EPA chemische Informationen: 3 · 3-(2,2-Dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid (55701-05-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 69 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

General Manufacturing InformationCyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-: ACTIVE

Anwendungen

Verwenden3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic Acid is a reagent used in the preparation of hapten and immunogen for the production of polyclonal antibodies, specific to Cypermethrin (C989000).