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Substance Name: Coumatetralyl [BSI:ISO]
RN: 5836-29-3
UNII: NWK4HW86A8
InChIKey: ULSLJYXHZDTLQK-UHFFFAOYSA-N

Molecular Formula

  • C19-H16-O3

Molecular Weight

  • 292.3324
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Rodenticide

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 500/10000 lb
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Names and Synonyms

Results Name

  • Coumatetralyl [BSI:ISO]

Name of Substance

  • Coumatetralyl
  • Coumatetralyl [BSI:ISO]

Synonyms

  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-
  • 3-(1,2,3,4-Tetrahydro-1-naphthyl)-4-hydroxycumarin
  • 3-(1,2,3,4-Tetrahydro-1-naphthyl)-4-hydroxycumarin [German]
  • 3-(1,2,3,4-Tetrahydro-1-naphtyl)-4-hydroxycoumarine
  • 3-(1,2,3,4-Tetrahydro-1-naphtyl)-4-hydroxycoumarine [French]
  • 3-(alpha-Tetral)-4-oxycoumarin
  • 3-(alpha-Tetralyl)-4-hydroxycoumarin
  • 3-(d-Tetralyl)-4-hydroxycoumarin
  • 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naftyl)-cumarine
  • 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naftyl)-cumarine [Dutch]
  • 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2H-1-benzopyran-2-one (8CI)(9CI)
  • 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)-cumarin
  • 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)coumarin
  • 4-Idrossi-3-(1,2,3,4-tetraidro-1-naftil)-cumarina
  • 4-Idrossi-3-(1,2,3,4-tetraidro-1-naftil)-cumarina [Italian]
  • BAY 25634
  • BAY ene 11183 B
  • Bayer 25 634
  • BRN 1323631
  • Caswell No. 496A
  • CCRIS 6923
  • Coumarin, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)-
  • Coumatetralyl
  • Cumatetralyl
  • Cumatetralyl [German, Dutch]
  • EINECS 227-424-0
  • Endox
  • Endrocid
  • Endrocide
  • ENE 11183 B
  • EPA Pesticide Chemical Code 496100
  • HSDB 1725
  • Racumin
  • Raucumin 57
  • Rodentin
  • UNII-NWK4HW86A8

Systematic Names

  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-
  • 2H-1-Benzopyran-2-one, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)- (9CI)
  • 4-Hydroxy-3-(1,2,3,4-tetrahydro-1-naphthalenyl)-2H-1-benzopyran-2-one
  • Coumarin, 4-hydroxy-3-(1,2,3,4-tetrahydro-1-naphthyl)-
  • Coumatetralyl
  • Racumin

Superlist Name

  • Coumatetralyl

Registry Numbers

CAS Registry Number

  • 5836-29-3

FDA UNII

  • NWK4HW86A8

System Generated Number

  • 0005836293

Structure Descriptors

InChI

1S/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2

InChIKey

ULSLJYXHZDTLQK-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)CCCC2c3c(c4ccccc4oc3=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - domestic LD50 oral 38300ug/kg (38.3mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
South African Journal for Enology and Viticulture. Vol. 7, Pg. 71, 1986.
cat LD50 oral 50mg/kg (50mg/kg)   Defense des Vegetaux. Vol. 43(255-256), Pg. 20, 1989.
chicken LD50 oral > 3gm/kg (3000mg/kg)   Defense des Vegetaux. Vol. 43(255-256), Pg. 20, 1989.
dog LD50 oral 35mg/kg (35mg/kg)   Defense des Vegetaux. Vol. 43(255-256), Pg. 20, 1989.
guinea pig LDLo oral 250mg/kg (250mg/kg)   "Pflanzenschutz-und Schaedlingsbekaempfungsmittel: Abriss einer Toxikologie und Therapie von Vergiftungen," 2nd ed., Klimmer, O.R., Hattingen, Fed. Rep. Ger., Hundt-Verlag, 1971Vol. -, Pg. 115, 1971.
rabbit LD50 oral 10mg/kg (10mg/kg)   Defense des Vegetaux. Vol. 43(255-256), Pg. 20, 1989.
rat LD50 oral 30mg/kg (30mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C260, 1991.
rat LD50 skin 40mg/kg (40mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C260, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 172 deg C   EXP
pKa Dissociation Constant 4.75 (none)   EXP
Water Solubility 4 mg/L 20 EXP
Vapor Pressure 6.38E-11 mm Hg 20 EXP
Henry's Law Constant 9.87E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.27E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.