Product Name

  • Name

    Fluorochloridone

  • EINECS 262-661-3
  • CAS No. 61213-25-0
  • Article Data8
  • CAS DataBase
  • Density 1.46 g/cm3
  • Solubility
  • Melting Point 80 - 81oC
  • Formula C12H10Cl2F3NO
  • Boiling Point 453.7 °C at 760 mmHg
  • Molecular Weight 312.119
  • Flash Point 228.2 °C
  • Transport Information
  • Appearance
  • Safety 26-27-36/37/39
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 61213-25-0 (Fluorochloridone)
  • Hazard Symbols IrritantXi
  • Synonyms Flurochloridone;R 40244;Racer;Racer 25;Rainbow;
  • PSA 20.31000
  • LogP 3.57940

Synthetic route

N-allyl-N-dichloroacetyl-m-trifluoromethylaniline
61219-95-2

N-allyl-N-dichloroacetyl-m-trifluoromethylaniline

fluorochloridone
61213-25-0

fluorochloridone

Conditions
ConditionsYield
With [2,2]bipyridinyl; copper(l) chloride In 1,2-dichloro-ethane at 80℃; for 3h; Temperature;97.6%
fluorochloridone
61213-25-0

fluorochloridone

4-chloromethyl-1-(3-trifluoromethyl-phenyl)-2-pyrrolidone
61213-51-2

4-chloromethyl-1-(3-trifluoromethyl-phenyl)-2-pyrrolidone

Conditions
ConditionsYield
With hydrogenchloride; copper(II) sulfate In ethanol41.44 g (93%)

Fluorochloridone Specification

The IUPAC name of Fluorochloridone is 3-Chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one . With the CAS registry number 61213-25-0, it is also can be called as (3RS,4RS;3RS,4SR)-3-Chloro-4-chloromethyl-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-2-pyrrolidone ; 1-(m-Trifluoromethylphenyl)-3-chloro-4-chloromethyl-2-pyrrolidone ; 3-Chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)-2-pyrrolidinone ; 3-Chloro-4-(chloromethyl)-1-(3-(trifluoromethyl)phenyl)-2-pyrrolidone (9CI) ; Caswell No. 721B ; EPA Pesticide Chemical Code 128401 ; Fluorochloridone ; Flurochloridone . Its classification code are Agricultural Chemical and Herbicide . It is belongs to the product categories: Herbicide; Alpha sort; E-GAlphabetic; F; FA - FLPesticides Metabolites; Herbicides;Others; Pesticides Metabolites.

Properties of Fluorochloridone :(1)H bond acceptors: 2 ; (2)H bond donors: 0 ; (3)Freely Rotating Bonds: 2 ; (4)Polar Surface Area: 20.31 Å2 ; (5)Index of Refraction: 1.536 ; (6)Molar Refractivity: 66.47 cm3 ; (7)Molar Volume: 213 cm3 ; (8)Surface Tension: 41.8 dyne/cm ; (9)Enthalpy of Vaporization: 71.32 kJ/mol ; (10)Vapour Pressure: 2.02E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)Cl)CCl
(2)InChI: InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2
(3)InChIKey: OQZCSNDVOWYALR-UHFFFAOYSA-N

Toxicity data of Fluorochloridone is as following:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
quail LD50 oral > 2150mg/kg (2150mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A825, Pg. 1986,
rabbit LD50 skin > 5gm/kg (5000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A825, Pg. 1986,
rat LC50 inhalation 10300mg/m3/4H (10300mg/m3)   Pesticide Manual. Vol. 9, Pg. 419, 1991.
rat LD50 oral 3650mg/kg (3650mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A825, Pg. 1986,

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