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CAS No.: | 61213-25-0 |
---|---|
Name: | Fluorochloridone |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C12H10Cl2F3NO |
Molecular Weight: | 312.119 |
Synonyms: | Flurochloridone;R 40244;Racer;Racer 25;Rainbow; |
EINECS: | 262-661-3 |
Density: | 1.46 g/cm3 |
Melting Point: | 80 - 81oC |
Boiling Point: | 453.7 °C at 760 mmHg |
Flash Point: | 228.2 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-27-36/37/39 |
PSA: | 20.31000 |
LogP: | 3.57940 |
N-allyl-N-dichloroacetyl-m-trifluoromethylaniline
fluorochloridone
Conditions | Yield |
---|---|
With [2,2]bipyridinyl; copper(l) chloride In 1,2-dichloro-ethane at 80℃; for 3h; Temperature; | 97.6% |
fluorochloridone
4-chloromethyl-1-(3-trifluoromethyl-phenyl)-2-pyrrolidone
Conditions | Yield |
---|---|
With hydrogenchloride; copper(II) sulfate In ethanol | 41.44 g (93%) |
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, |