Chemical Identification
Common Name
Difethialone
中文通用名
噻鼠灵
IUPAC
3-[(1RS,3RS;1RS,3SR)-3-(4′-bromobiphenyl-4-yl)-1,2,3,4-tetrahydro-1-naphthyl]-4-hydroxy-1-benzothiin-2-one where the ratios of the racemates (1RS,3RS) to (1RS,3SR) lie within the ranges 0–15 to 85–100 respectively
CAS
3-[3-(4′-bromo[1,1′-biphenyl]-4-yl)-1,2,3,4-tetrahydro-1-naphthalenyl]-4-hydroxy-2H-1-benzothiopyran-2-one
CAS No.
104653-34-1
Molecular Formula
C31H23BrO2S
Molecular Structure
Physical Properties
Molecular weight:539.5; Physical form:White, slightly yellowish powder. Density:1.3614 (25 °C); Composition:Ratios of the racemates (1RS,3RS) to (1RS,3SR) lie in the range 0-15 to 85-100. Melting point:233-236 °C; Vapour pressure:0.074 mPa (25 °C); Henry constant:1.02×10-1 Pa m3 mol-1 ( calc.); Partition coefficient(n-octanol and water):logP = 5.17; Solubility:In water 0.39 mg/l (25 °C). In ethanol 0.7, methanol 0.47, hexane 0.2, chloroform 40.8, dimethylformamide 332.7, acetone 4.3 (all in g/l, 20-25 °C).
Toxicology
Oral:Acute oral LD50 for rats 0.56, mice 1.29, dogs 4, pigs 2-3 mg/kg. Percutaneous:Acute percutaneous LD50 for male rats 7.9, female rats 5.3 mg/kg. Non-irritating to skin; mild eye irritant (rabbits). Inhalation: LC50 (4 h) for rats 5-19.3 μg/l.
Environmental Profile
Ecotoxicology: Birds:Acute oral LD50 for bobwhite quail 0.264 mg/kg. LC50 (5 d) for bobwhite quail 0.56 ppm; (30 d) for mallard ducklings 1.94 ppm.Daphnia: EC50 (48 h) 4.4 μg/l.Fish: LC50 (96 h) for rainbow trout 51 μg/l, bluegill sunfish 75 μg/l. Environmental fate: Animals:In rats, following oral administration, difethialone is characterised by a short half-life in blood, a longer half-life in the liver, and an essentially faecal elimination with almost complete absence of metabolism.Soil:Binds strongly to soil and would be classified as immobile; data for a range of four soil types: (adsorption) Kd 2.3×105 to 2.4×107.
Transport Information
Hazard Class:Ia (Extremely hazardous)

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