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Substance Name: Coumithoate [ISO]
RN: 572-48-5
UNII: 501C188SWN
InChIKey: NSMRHYDOKZAMKJ-UHFFFAOYSA-N

Classification Codes

  • Acaricide
  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C17-H21-O5-P-S

Molecular Weight

  • 368.3879
 
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Names and Synonyms

Results Name

  • Coumithoate [ISO]

Name of Substance

  • Coumithoate

Synonyms

  • 1-Cyclohexene-1-carboxylic acid, 2-(2,4-dihydorxyphenyl)-, delta-lactone, O,O-diethyl phosphorothioate
  • 2-(2,4-Dihydroxyphenyl)-1-cyclohexene-1-carboxylic acid gamma-lactone O,O-diethyl phosphorothioate
  • 4-18-00-00514 (Beilstein Handbook Reference)
  • 7-Hydroxy-3,4-tetramethylenecoumarin O,O-diethyl thiophosphate
  • BRN 0049344
  • Caswell No. 345A
  • Chromaphon
  • Chromaphton
  • Coumithoate
  • Coumithoate [ISO]
  • Diethyl 7,8,9,10-tetrahydro-6-oxobenzo(c)chroman-3-yl phosphorothioate
  • Dithion
  • Dithione
  • Dition
  • Dition Insecticide
  • ENT-24986
  • O,O-Diethyl 7-hydroxy-3,4-tetramethylene coumarinyl phosphorothioate
  • O,O-Diethyl O-(3,4-tetramethylenecoumarinyl-7) thiophosphate
  • O,O-Diethyl O-(7,8,9,10-tetrahydro-6-oxo-6H-dibenzo(b,d)pyran-3-yl) phosphorothioate
  • O,O-Diethyl O-(7,8,9,10-tetrahydro-6-oxobenzo(c)chroman-3-yl)phosphorothioate
  • Phosporothioic acid, O,O-diethyl ester, O-ester with 7,8,9,10-tetrahydro-3-hydroxy-6H-dibenzo(b,d)pyran-6-one
  • UNII-501C188SWN

Systematic Names

  • 1-Cyclohexene-1-carboxylic acid, 2-(2,4-dihydroxyphenyl)-, delta-lactone, O-ester with O,O-diethyl phosphorothioate
  • Phosphorothioic acid, O,O-diethyl O-(7,8,9,10-tetrahydro-6-oxo-6H-dibenzo(b,d)pyran-3-yl) ester

Registry Numbers

CAS Registry Number

  • 572-48-5

FDA UNII

  • 501C188SWN

System Generated Number

  • 0000572485

Structure Descriptors

InChI

1S/C17H21O5PS/c1-3-19-23(24,20-4-2)22-12-9-10-14-13-7-5-6-8-15(13)17(18)21-16(14)11-12/h9-11H,3-8H2,1-2H3

InChIKey

NSMRHYDOKZAMKJ-UHFFFAOYSA-N

Smiles

CCOP(=S)(OCC)Oc1ccc2C3=C(CCCC3)C(=O)Oc2c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral 400mg/kg (400mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 56, 1976.
guinea pig LD50 oral 200mg/kg (200mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 56, 1976.
mouse LD50 oral 3800mg/kg (3800mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 56, 1976.
rabbit LD50 oral 500mg/kg (500mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 56, 1976.
rat LD50 oral 67mg/kg (67mg/kg)   Pharmaceutical Journal. Vol. 185, Pg. 361, 1960.
rat LD50 skin > 200mg/kg (200mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.
rat LD50 unreported 150mg/kg (150mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 341, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 88.25 deg C   EXP
log P (octanol-water) 5.400 (none)   EST
Atmospheric OH Rate Constant 1.39E-10 cm3/molecule-sec 25 EST

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