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Substance Name: Phthalide
RN: 27355-22-2
InChIKey: NMWKWBPNKPGATC-UHFFFAOYSA-N

Note

  • A fungicide.

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C8-H2-Cl4-O2

Molecular Weight

  • 271.914
 
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Names and Synonyms

Name of Substance

  • Phthalide

Synonyms

  • 4,5,6,7-Tetrachloro-1(3H)-isobenzofuranone (9CI)
  • 4,5,6,7-Tetrachlorophthalide
  • 4,5,6,7-Tetrachlorophthalidefthalide
  • 4-17-00-04950 (Beilstein Handbook Reference)
  • Bayer 96610
  • BRN 0182477
  • Fthalide
  • KF-32
  • Phthalide
  • Rabcide

Systematic Names

  • 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-
  • Phthalide, 4,5,6,7-tetrachloro-

Registry Numbers

CAS Registry Number

  • 27355-22-2

System Generated Number

  • 0027355222

Structure Descriptors

InChI

1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2

InChIKey

NMWKWBPNKPGATC-UHFFFAOYSA-N

Smiles

c12c(c(c(Cl)c(c1Cl)Cl)Cl)COC2=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 10gm/kg (10000mg/kg)   Japan Pesticide Information. Vol. (36), Pg. 32, 1979.
mouse LD50 oral > 10gm/kg (10000mg/kg)   Japan Pesticide Information. Vol. (36), Pg. 32, 1979.
mouse LD50 skin > 10gm/kg (10000mg/kg)   Japan Pesticide Information. Vol. (40), Pg. 32, 1982.
mouse LD50 subcutaneous > 10gm/kg (10000mg/kg)   Japan Pesticide Information. Vol. (36), Pg. 32, 1979.
rat LC inhalation > 4100mg/m3 (4100mg/m3)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 15, Pg. 311, 1990.
rat LD50 intraperitoneal 9780mg/kg (9780mg/kg)   Japan Pesticide Information. Vol. (36), Pg. 32, 1979.
rat LD50 oral 20gm/kg (20000mg/kg)   "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 4, Pg. 73, 1976/1977.
rat LD50 skin > 10gm/kg (10000mg/kg)   Japan Pesticide Information. Vol. (36), Pg. 32, 1979.
rat LD50 subcutaneous > 10gm/kg (10000mg/kg)   Japan Pesticide Information. Vol. (36), Pg. 32, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 209.5 deg C   EXP
log P (octanol-water) 3.2 (none)   EXP
Water Solubility 2.5 mg/L 25 EXP
Vapor Pressure 2.25E-08 mm Hg 23 EXP
Henry's Law Constant 3.22E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.02E-12 cm3/molecule-sec 25 EST

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