3-Chlor-4-(chlormethyl)-1-[3-(trifluormethyl)phenyl]pyrrolidin-2-on

Flurochloridone

HCID 91677CAS 61213-25-0

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Grundinformationen

Standard-SMILES: O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1
InChIKey: OQZCSNDVOWYALR-UHFFFAOYSA-N
Summenformel: C12H10Cl2F3NO
Durchschnittliche Molmasse: 312,11 g/mol
Monoisotopische Masse: 311,00915396

Überblick

Flurochloridone is an organochlorine compound, a member of pyrrolidines and a member of (trifluoromethyl)benzenes. It has a role as a carotenoid biosynthesis inhibitor, a herbicide and an agrochemical.

Namen und Bezeichner

Bevorzugter Name: Flurochloridone
IUPAC: 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
Lokaler Name: 3-Chlor-4-(chlormethyl)-1-[3-(trifluormethyl)phenyl]pyrrolidin-2-on
Englischer Name: Fluorochloridone
Summenformel: C12H10Cl2F3NO
Molmasse: 312.12

Namen und Synonyme

Flurochloridone61213-25-0Fluorochloridone3-Chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)pyrrolidin-2-oneRaiserRacer3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-oneDTXSID0041987AO023ZB1BP2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-DTXCID80219873-Chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)-2-pyrrolidinone

Weitere Namen anzeigen

r402444-CLTARacer 25（3RS，4RSClostene（3RS， 4RS

2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)-RefChem:141047R-40244262-661-3flurochloridone (ISO); 3-chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)pyrrolidin-2-oneFlurochloridonCaswell No. 721BC12H10Cl2F3NO

Datenbank-Bezeichner

CAS: 61213-25-0
PubChem CID: 91677
DTXSID: DTXSID0041987
ChEMBL: CHEMBL2272973
ChEBI: CHEBI:5131
EC Number: 262-661-3
Nikkaji: J265.193I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,4
Polarare Oberfläche (TPSA): 20,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 19
Formalladung: 0
Komplexität: 350

Experimentelle und physikochemische Eigenschaften

Pesticides · 3 Einträge

Herbicides

Active substance -> EU Pesticides database: Approved

Environmental transformation -> Pesticides (parent, predecessor)

LogP3.36

Human DrugsPharmaceuticals

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 67.65 °C · 67.65°C
Siedepunkt: 212.5 °C · 212.5 °C
Dichte: 1.3924 · 1.3924 (estimate)
Flammpunkt: 100 °C · >100 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: -3.59 · -3.59±0.60(Predicted)
Farbe: Pale Brown to Light Brown
Henry's Law Constant: 2.6 · 2.6×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
LogP: 3.36 · 3.360
CAS Datenbank: 61213 · 61213-25-0(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-(61213-25-0)
EPA chemische Informationen: Flurochloridone (61213-25-0)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 4.2% (3 of 72) of reports.

Danger

H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Regulatory Information · 2 Einträge

Hazard Traits - Reproductive Toxicity

2008/934/EC, 2011/34/EU, Reg. (EU) 2020/1295, Reg. (EU) 2021/745, Reg. (EU) 2022/708, Reg. (EU) 2023/918, Reg. (EU) No 540/2011

Hazard Classes and Categories · 3 Einträge

Acute Tox. 4 (88.9%)

Reproductive toxicity - category 1B

Repr. 1B

Sicherheitsdaten

RTECS-Nr.: UY5746500
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-27-36/37/39

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationPesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.

Verwendung und Herstellung

Use Classification · 2 Einträge

Pharmaceuticals

Environmental transformation -> Pesticides (parent, predecessor)

Anwendungen · 1 Eintrag

VerwendenFlurochloridone (FLC) is a monophenyl pyrrolidinone selective herbicide that can be used in herbicidal composition to control weed in crop fields. It is commonly used to inhibit weeds that occur during the growth of crop plants, such as grains, sunflowers, and potatoes.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter50 Anbieter

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

合肥翰刚医药科技有限公司+8618062405514 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: Flurochloridone is a member of pyrrolidines, a member of (trifluoromethyl)benzenes and an organochlorine compound. It has a role as a carotenoid biosynthesis inhibitor, an agrochemical and a herbicide.