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Substance Name: Coumachlor [ISO:BSI]
RN: 81-82-3
UNII: UCD8XZW42P
InChIKey: DEKWZWCFHUABHE-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Anticoagulants
  • Drug / Therapeutic Agent
  • Hematologic Agents
  • Pesticides
  • Rodenticide
  • Rodenticides

Molecular Formula

  • C19-H15-Cl-O4

Molecular Weight

  • 342.776
 
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Names and Synonyms

Results Name

  • Coumachlor [ISO:BSI]

Name of Substance

  • Coumachlor
  • Coumachlor [ISO:BSI]

Synonyms

  • 3-((alpha-Acetonyl)-4-chlorbenzyl)-4-hydroxycumarin
  • 3-((alpha-Acetonyl)-4-chlorbenzyl)-4-hydroxycumarin [IUPAC]
  • 3-(1-(4-Chloorfenyl)-3-oxo-butyl)-4-hydroxy-cumarine
  • 3-(1-(4-Chloorfenyl)-3-oxo-butyl)-4-hydroxy-cumarine [Dutch]
  • 3-(1-(4-Chlor-phenyl)-3-oxo-butyl)-4-hydroxy-cumarin
  • 3-(1-(4-Chlor-phenyl)-3-oxo-butyl)-4-hydroxy-cumarin [German]
  • 3-(1-(4-Chlorophenyl)-3-oxo-butyl)-4-hydroxy-coumarine
  • 3-(1-(4-Chlorophenyl)-3-oxo-butyl)-4-hydroxy-coumarine [French]
  • 3-(1-(4-Chlorophenyl)-3-oxobutyl)-4-hydroxy-2H-1-benzopyran-2-one
  • 3-(1-(4-Chlorophenyl)-3-oxobutyl)-4-hydroxy-2H-1-benzopyran-2-one (9CI)
  • 3-(1-(4-Chlorophenyl)-3-oxobutyl)-4-hydroxycoumarin
  • 3-(1-(4-Cloro-fenil)-3-oxo-butil)-4-idrossicumarina
  • 3-(1-(4-Cloro-fenil)-3-oxo-butil)-4-idrossicumarina [Italian]
  • 3-(1-Acetyl-2-(p-chlorophenyl)ethyl)-4-hydroxycoumarin
  • 3-(alpha-(p-Chlorphenyl)-beta-acetylaethyl)-4-hydroxycumarin
  • 3-(alpha-(p-Chlorphenyl)-beta-acetylaethyl)-4-hydroxycumarin [German]
  • 3-(alpha-Acetonyl-4-chlorobenzyl)-4-hydroxycoumarin
  • 3-(alpha-Acetonyl-p-chlorobenzyl)-4-hydroxycoumarin
  • 3-(alpha-p-Chlorophenyl-beta-acetylethyl)-4-hydroxycoumarin
  • 4-Hydroxy-3-(1-(4-chlorophenyl)-3-oxobutyl)-2H-1-benzopyran-2-one
  • 5-18-04-00163 (Beilstein Handbook Reference)
  • BRN 1689759
  • Caswell No. 004A
  • Coumachlor
  • Coumachlore
  • Coumachlore [French]
  • Coumachlore [ISO-French]
  • Cumachloor
  • Cumachloor [Dutch]
  • Cumachlor
  • Cumachlor [German]
  • EINECS 201-378-1
  • EPA Pesticide Chemical Code 224200
  • Experimental rodenticide 332
  • G-23133
  • Geigy rodenticide exp. 332
  • HSDB 7116
  • Kumachlor
  • Kumachlor [Czech]
  • Ratilan
  • Tomorin
  • UNII-UCD8XZW42P

Systematic Names

  • 2H-1-Benzopyran-2-one, 3-(1-(4-chlorophenyl)-3-oxobutyl)-4-hydroxy-
  • 2H-1-Benzopyran-2-one, 3-(1-(4-chlorophenyl)-3-oxobutyl)-4-hydroxy- (9CI)
  • Coumachlor
  • Coumarin, 3-(alpha-acetonyl-p-chlorobenzyl)-4-hydroxy-

Superlist Name

  • Coumachlor

Registry Numbers

CAS Registry Number

  • 81-82-3

FDA UNII

  • UCD8XZW42P

System Generated Number

  • 0000081823

Structure Descriptors

InChI

1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3

InChIKey

DEKWZWCFHUABHE-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccc(Cl)cc2)CC(C)=O)c(c2c(cccc2)oc1=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 221mg/kg (221mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 30, Pg. 531, 1995.
mouse LD50 oral 392mg/kg (392mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 30, Pg. 531, 1995.
rat LD50 oral 187mg/kg (187mg/kg)   Pesticide Manual. Vol. 9, Pg. 186, 1991.
rat LD50 skin 33mg/kg (33mg/kg)   Pesticide Manual. Vol. 9, Pg. 186, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 169 deg C   EXP
log P (octanol-water) 2.880 (none)   EST
Water Solubility 0.5 mg/L 20 EXP
Vapor Pressure 7.17E-13 mm Hg 25 EST
Henry's Law Constant 1.69E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.07E-11 cm3/molecule-sec 25 EST

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