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

FLUROCHLORIDONE · RACER · r40244 · raiser · 4-CLTA · Racer 25 · （3RS，4RS · Clostene

https://huagongshe.com/de/chemical/91677

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

Identifikatoren & physikalische Daten

CAS No.	61213-25-0
Summenformel	C12H10Cl2F3NO
Durchschnittliche Molmasse	312,11 g/mol
Monoisotopische Masse	311,00915396 g/mol
SMILES	O=C1C(Cl)C(CCl)CN1c1cccc(C(F)(F)F)c1
InChIKey	OQZCSNDVOWYALR-UHFFFAOYSA-N
PubChem CID	91677
ChEMBL	CHEMBL2272973
ChEBI	CHEBI:5131
EC No.	262-661-3
DTXSID	DTXSID0041987
Lokaler Name	3-Chlor-4-(chlormethyl)-1-[3-(trifluormethyl)phenyl]pyrrolidin-2-on

Chemische & physikalische Eigenschaften

XLogP	3,4
Polarare Oberfläche (TPSA)	20,3
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	2
Schwere Atome	19
Formalladung	0
Komplexität	350
Pestizide	HerbicidesActive substance -> EU Pesticides database: ApprovedEnvironmental transformation -> Pesticides (parent, predecessor)
LogP (Verteilungskoeffizient)	3.36
Human Drugs	Pharmaceuticals
Endocrine Disruptors	Potential endocrine disrupting compound
Schmelzpunkt	67.65°C
Siedepunkt	212.5 °C
Dichte	1.3924 (estimate)
Flammpunkt	>100 °C
Lagerbedingungen	under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit	DMSO (Slightly), Methanol (Slightly)
Aggregatzustand	Solid
pKa (Säurekonstante)	-3.59±0.60(Predicted)
Farbe	Pale Brown to Light Brown
Henry-Konstante	2.6×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
LogP (Verteilungskoeffizient)	3.360
CAS Datenbank	61213-25-0(CAS DataBase Reference)
NIST chemische Informationen	2-Pyrrolidinone, 3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-(61213-25-0)
EPA chemische Informationen	Flurochloridone (61213-25-0)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302: 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.H302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]
Regulatorische Informationen	Hazard Traits - Reproductive Toxicity2008/934/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	Acute Tox. 4 (88.9%)Reproductive toxicity - category 1BRepr. 1B
RTECS-Nr.	UY5746500
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-27-36/37/39

Anwendungen & Verwendung

Verwenden

Flurochloridone (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.