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CAS No 66-76-2 , 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one

  • Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
  • Synonyms: Acadyl;dicoumarol; melitoxin; Acavyl; Antitrombosin;4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one; dicoumarin; Dicoumal; Baracoumin; Bishydroxycoumarin;
  • CAS Registry Number:
  • Transport: UN 2811 6.1/PG 3
  • Melting Point: 290-292 °C(lit.)
  • Boiling Point: 620.702°C at 760 mmHg
  • Density: 1.573g/cm3
  • Refractive index: 1.731
  • Safety Statements: Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. An experimental teratogen. Human reproductive effects by ingestion and possibly other routes: fetal death, unspecified developmental abnormalities, stillbirth, and unspecified neonatal effects. An anticoagulant. Excessive doses can cause hemorrhages. When heated to decomposition it emits acrid smoke and fumes. See also WARFARIN.
  • Hazard Symbols: T,N
  • EINECS: 200-632-9
  • Molecular Weight: 336.29498
  • InchiKey: DOBMPNYZJYQDGZ-UHFFFAOYSA-N
  • InChI: InChI=1S/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-
    6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
  • Risk Statements: 22-48/25-51/53
  • Molecular Formula: C19H12O6
  • Molecular Structure:CAS No:66-76-2 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one

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References of 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
Title: Dicumarol
CAS Registry Number: 66-76-2
CAS Name: 3,3￠-Methylenebis[4-hydroxy-2H-1-benzopyran-2-one]
Synonyms: 3,3￠-methylenebis[4-hydroxycoumarin]; bishydroxycoumarin (rescinded)
Trademarks: Dicoumarol; Dicoumarin; Dicumol; Melitoxin
Molecular Formula: C19H12O6
Molecular Weight: 336.29
Percent Composition: C 67.86%, H 3.60%, O 28.55%
Literature References: Originally isolated from spoiled sweet clover (improperly cured Melilotus hay): Link et al., J. Biol. Chem. 138, 21, 513, 529 (1941); 142, 941 (1942); now prepd synthetically by the action of formaldehyde on 4-hydroxycoumarin (obtained as the Na derivative by the action of sodium metal on methyl acetylsalicylate): Link, Fed. Proc. 4, 176 (1945), and patents (The Wisconsin Alumni Res. Found.). Toxicity data: Rose et al., Proc. Soc. Exp. Biol. Med. 50, 228 (1942).
Properties: Minute crystals. Slight pleasant odor. Has a slightly bitter taste. mp 287-293°. Sol in aq alkaline solns, in pyridine and similar organic bases. Slightly sol in benzene and chloroform. Practically insol in water, alcohol, ether. LD50 orally in rats: 541.6 mg/kg (Rose).
Melting point: mp 287-293°
Toxicity data: LD50 orally in rats: 541.6 mg/kg (Rose)
Therap-Cat: Anticoagulant.
Keywords: Anticoagulant.