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Substance Name: Diphenadione [USP:INN:BAN]
RN: 82-66-6
UNII: 54CA01C6JX
InChIKey: JYGLAHSAISAEAL-UHFFFAOYSA-N

Molecular Formula

  • C23-H16-O3

Molecular Weight

  • 340.376
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Rodenticide

Superlist Classification Code

  • Threshold Planning Quantity (TPQ) = 10/10000 lb
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Names and Synonyms

Name of Substance

  • Diphacinone [ANSI:BSI:ISO]
  • Diphenadione
  • Diphenadione [USP:INN:BAN]

Synonyms

  • 1,3-Indandione, 2-(diphenylacetyl)- (8CI)
  • 1H-Indene-1,3(2H)-dione, 2-(diphenylacetyl)- (9CI)
  • 2-(Diphenylacetyl)-1,3-indandione
  • 2-(Diphenylacetyl)-1H-indene-1,3(2H)-dione
  • 2-Diphenyl-acetyl-indan-1,3-dion
  • 2-Diphenyl-acetyl-indan-1,3-dion [German]
  • 2-Diphenylacetyl-1,3-diketohydrindene
  • 4-07-00-02838 (Beilstein Handbook Reference)
  • BRN 2060511
  • Caswell No. 394
  • Contrax-D
  • Didandin
  • Didion
  • Difenadiona
  • Difenadiona [INN-Spanish]
  • Difenadione
  • Difenadione [DCIT]
  • Dipaxin
  • Diphac
  • Diphacin
  • Diphacin [Turkey]
  • Diphacinone
  • Diphacins
  • Diphenacin
  • Diphenadion
  • Diphenadione
  • Diphenadionum
  • Diphenadionum [INN-Latin]
  • Diphenandione
  • EINECS 201-434-5
  • EPA Pesticide Chemical Code 067701
  • Gold Crest
  • HSDB 2788
  • Kill-Ko Rat Killer
  • NSC 9138
  • Oragulant
  • P.C.Q.
  • Parakakes
  • PCQ
  • PID
  • Promar
  • Promar PCQ
  • Ramik
  • Ratindan
  • Ratindan 1
  • Rodent Cake
  • Solvan
  • U 1363
  • U-1363
  • UNII-54CA01C6JX
  • URI 788

Systematic Names

  • 1,3-Indandione, 2-diphenylacetyl-
  • 1H-Indene-1,3(2H)-dione, 2-(diphenylacetyl)-
  • 1H-Indene-1,3-(2H)-dione, 2-(diphenylacetyl)-
  • Diphacinone

Superlist Names

  • 2-(Diphenylacetyl)-1,3-indandione
  • Diphacinone

Registry Numbers

CAS Registry Number

  • 82-66-6

FDA UNII

  • 54CA01C6JX

Related Registry Number

  • 82271-36-1 (cpd with unspecified hydrochloride-salt)

System Generated Number

  • 0000082666

Structure Descriptors

InChI

1S/C23H16O3/c24-21-17-13-7-8-14-18(17)22(25)20(21)23(26)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H

InChIKey

JYGLAHSAISAEAL-UHFFFAOYSA-N

Smiles

C(C(C1C(c2ccccc2C1=O)=O)=O)(c1ccccc1)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 oral 15mg/kg (15mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 429, 1966.
dog LD50 oral 3mg/kg (3mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 84, 1976.
duck LD50 oral 3158mg/kg (3158mg/kg)   Pesticide Manual. Vol. 9, Pg. 310, 1991.
mammal (species unspecified) LD50 oral 910ug/kg (0.91mg/kg)   Science. Vol. 177, Pg. 806, 1972.
mammal (species unspecified) LD50 oral 9600ug/kg (9.6mg/kg)   Bulletin of Environmental Contamination and Toxicology. Vol. 23, Pg. 211, 1979.
mouse LD50 oral 28300ug/kg (28.3mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 17, Pg. S319, 1992.
mouse LD50 unreported 300mg/kg (300mg/kg)   Yakkyoku. Pharmacy. Vol. 30, Pg. 397, 1979.
pig LD50 oral 150mg/kg (150mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 84, 1976.
rabbit LD50 oral 35mg/kg (35mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 80, Pg. 139, 1952.
rat LC50 inhalation 2gm/m3/4H (2000mg/m3)   Pesticide Manual. Vol. 9, Pg. 310, 1991.
rat LD50 oral 1500ug/kg (1.5mg/kg)   "Wirksubstanzen der Pflanzenschutz und Schadlingsbekampfungsmittel," Perkow, W., Berlin, Verlag Paul Parey, 1971-1976Vol. -, Pg. -, 1971/1976.
rat LD50 skin 200mg/kg (200mg/kg)   Pesticide Manual. Vol. 9, Pg. 310, 1991.
rat LD50 unreported 11mg/kg (11mg/kg)   Yakkyoku. Pharmacy. Vol. 30, Pg. 397, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 146.5 deg C   EXP
log P (octanol-water) 4.850 (none)   EST
Water Solubility 0.3 mg/L   EXP
Vapor Pressure 1.03E-10 mm Hg 25 EXP
Henry's Law Constant 1.54E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.20E-11 cm3/molecule-sec 25 EST

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