Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Coumafuryl [ISO]
RN: 117-52-2
UNII: 7ELL4M4VS8
InChIKey: JFIXKFSJCQNGEK-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide
  • Rodenticide

Molecular Formula

  • C17-H14-O5

Molecular Weight

  • 298.293
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Coumafuryl [ISO]

Name of Substance

  • Coumafuryl
  • Fumarin

Synonyms

  • 3-(1-Furyl-3-acetylethyl)-4-hydroxycoumarin
  • 3-(alpha-Acetonylfurfuryl)-4-hydroxycoumarin
  • 3-(alpha-Furyl-beta-acetylaethyl)-4-hydroxycumarin
  • 3-(alpha-Furyl-beta-acetylaethyl)-4-hydroxycumarin [German]
  • 4-(2-Furyl)-4-(4-hydroxy-3-coumarinyl)-2-butanone
  • 4-(2-Furyl)-4-(4-hydroxy-3-kumarinyl)-2-butanon
  • 4-(2-Furyl)-4-(4-hydroxy-3-kumarinyl)-2-butanon [Czech]
  • 5-19-06-00391 (Beilstein Handbook Reference)
  • BRN 1395342
  • Caswell No. 005
  • Coumafuryl
  • Coumafuryl [ISO]
  • Cumafuryl
  • Cumafuryl [German]
  • EINECS 204-195-5
  • EPA Pesticide Chemical Code 086001
  • Fumarin
  • HSDB 7117
  • Kill-Ko Rat
  • Krumkil
  • Kumatox
  • Lurat
  • Mouse blues
  • Ratafin
  • Tomarin
  • UNII-7ELL4M4VS8

Systematic Names

  • 2H-1-Benzopyran-2-one, 3-(1-(2-furanyl)-3-oxobutyl)-4-hydroxy-
  • Coumafuryl
  • Coumarin, 3-(alpha-acetonylfurfuryl)-4-hydroxy-

Superlist Name

  • Coumafuryl

Registry Numbers

CAS Registry Number

  • 117-52-2

FDA UNII

  • 7ELL4M4VS8

Related Registry Number

  • 34490-93-2 (hydrochloride salt)

System Generated Number

  • 0000117522

Structure Descriptors

InChI

1S/C17H14O5/c1-10(18)9-12(13-7-4-8-21-13)15-16(19)11-5-2-3-6-14(11)22-17(15)20/h2-8,12,19H,9H2,1H3

InChIKey

JFIXKFSJCQNGEK-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccco2)CC(C)=O)c(c2c(cccc2)oc1=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 14700ug/kg (14.7mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C148, 1991.
rat LD50 oral 25mg/kg (25mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C148, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 124 deg C   EXP
log P (octanol-water) 1.600 (none)   EST
Water Solubility 538 mg/L 25 EST
Vapor Pressure 2.17E-11 mm Hg 25 EST
Henry's Law Constant 2.27E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.45E-10 cm3/molecule-sec 25 EST

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