Basic information
- Name:
2-Pyrrolidinone,3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-
- Superlist Name:
- Fluorochloridone
- CAS No.:
61213-25-0
- Molecular Structure:
![Molecular Structure of 61213-25-0 (2-Pyrrolidinone,3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-)](http://www.lookchem.com/300w/2010/0623/61213-25-0.jpg)
- Formula:
- C12H10Cl2F3NO
- Molecular Weight:
- 312.12
- Deleted CAS:
- 89286-81-7
- Synonyms:
- Flurochloridone;R 40244;Racer;Racer 25;Rainbow;
- EINECS:
- 262-661-3
- Density:
- 1.46 g/cm3
- Boiling Point:
- 453.7 °C at 760 mmHg
- Flash Point:
- 228.2 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-27-36/37/39 Details
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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, |