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Substance Name: Captafol [ANSI:BSI:ISO]
RN: 2425-06-1
UNII: D88BWD4H64
InChIKey: JHRWWRDRBPCWTF-OLQVQODUSA-N

Molecular Formula

  • C10-H9-Cl4-N-O2-S

Molecular Weight

  • 349.0641
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Fungicides, Industrial
  • Mutation Data
  • Pesticides
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 2A
  • TWA 0.1 mg/m3; skin; Not classifiable as a human carcinogen

Names and Synonyms

Results Name

  • Captafol [ANSI:BSI:ISO]

Name of Substance

  • Captafol
  • Captafol [ANSI:BSI:ISO]
  • Difolatan

Synonyms

  • 1,2,3,6-Tetrahydro-N-(1,1,2,2-tetrachloroethylthio)phthalimide
  • 3a,4,7,7a-Tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-1H-isoindole-1,3(2H)-dione (9CI)
  • 3a,4,7,7a-Tetrahydro-N-(1,1,2,2-tetrachloroethanesulphenyl)phthalimide
  • 4-Cyclohexene-1,2-dicarboximide, N-((1,1,2,2-tetrachloroethyl)thio)- (7CI)(8CI)
  • 5-21-10-00136 (Beilstein Handbook Reference)
  • Alfloc 7020
  • Alfloc 7046
  • Arborseal
  • BRN 1543712
  • Captafol
  • Captaspor
  • CCRIS 848
  • CS 5623
  • CS5623
  • Difolatan
  • Difolatan 4F
  • Difolatan 4F1
  • Difolatan 80W
  • Difolatan BOW
  • Difosan
  • EINECS 219-363-3
  • Folcid
  • Foltaf
  • Haipen
  • Haipen 50
  • HSDB 340
  • Kenofol
  • Merpafol
  • N-((1,1,2,2-Tetrachloroethyl)sulfenyl)-cis-4-cyclohexene-1,2-dicarboximide
  • N-(1,1,2,2-Tetrachloraethylthio)-cyclohex-4-en-1,4-diacarboximid
  • N-(1,1,2,2-Tetrachloraethylthio)-cyclohex-4-en-1,4-diacarboximid [German]
  • N-(1,1,2,2-Tetrachloraethylthio)-tetrahydrophthalamid
  • N-(1,1,2,2-Tetrachloraethylthio)-tetrahydrophthalamid [German]
  • N-(1,1,2,2-Tetrachloroethylthio)-4-cyclohexene-1,2-dicarboximide
  • N-(1,1,2,2-Tetrachloroethylthio)-delta4-tetrahydrophthalimide
  • N-(Tetrachloroethylthio)tetrahydrophthalimide
  • N-1,1,2,2-Tetrachloroethylmercapto-4-cyclohexene-1,2-carboximide
  • Nalco 7046
  • Ortho 5865
  • Ortho Difolatan 4 Flowable
  • Ortho Difolatan 80W
  • Proxel EF
  • Sanspor
  • Santar SM
  • Sulfonimide
  • Sulpheimide
  • Terrazol
  • Tetrachloroethylthiotetrahydrophthalimide
  • UNII-D88BWD4H64

Systematic Names

  • 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)-
  • 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-((1,1,2,2-tetrachloroethyl)thio)- (9CI)
  • 4-Cyclohexene-1,2-dicarboximide, N-((1,1,2,2-tetrachloroethyl)thio)-
  • Captafol
  • N-((1,1,2,2-Tetrachloroethyl)thio)-4-cyclohexene-1,2-dicarboximide

Superlist Names

  • Captafol
  • Difolatan

Registry Numbers

CAS Registry Number

  • 2425-06-1

FDA UNII

  • D88BWD4H64

Other Registry Numbers

  • 30017-05-1
  • 61913-12-0

System Generated Number

  • 0002425061

Structure Descriptors

InChI

1S/C10H9Cl4NO2S/c11-9(12)10(13,14)18-15-7(16)5-3-1-2-4-6(5)8(15)17/h1-2,5-6,9H,3-4H2/t5-,6+

InChIKey

JHRWWRDRBPCWTF-OLQVQODUSA-N

Smiles

ClC(Cl)C(Cl)(Cl)SN1C(=O)[C@H]2CC=CC[C@H]2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 3mg/kg (3mg/kg)   Food and Cosmetics Toxicology. Vol. 13, Pg. 55, 1975.
rabbit LD50 skin 15400mg/kg (15400mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.
rat LD50 oral 2500mg/kg (2500mg/kg)   World Review of Pest Control. Vol. 9, Pg. 119, 1970.
rat LD50 unreported > 6gm/kg (6000mg/kg)   Residue Reviews. Vol. 36, Pg. 240, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 160-161 deg C   EXP
log P (octanol-water) 3.8 (none)   EXP
Water Solubility 1.4 mg/L 22 EXP
Vapor Pressure 6.55E-09 mm Hg 25 EST
Henry's Law Constant 2.15E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.77E-11 cm3/molecule-sec 25 EST

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