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CAS No 133-06-2 , 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

  • Name: 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
  • Synonyms: Aacaptan;2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione; Amercide; Captane; Vondcaptan; Malipur; Orthocide;133-06-2; Neracid; Vancide 89;
  • CAS Registry Number:
  • Transport: UN 3077/9099
  • Melting Point: 178 ºC
  • Flash Point: 143.8ºC
  • Boiling Point: 314.2ºCat 760 mmHg
  • Density: 1.74
  • Refractive index: 1.636
  • Water Solubility: 0.00033 g/100 mL
  • Safety Statements: R23;R40;R41;R43;R50
  • Hazard Symbols: N: Dangerous for the environment;T: Toxic;
  • Flash Point: 143.8ºC
  • EINECS: 205-087-0
  • Molecular Weight: 300.58932
  • InchiKey: LDVVMCZRFWMZSG-UHFFFAOYSA-N
  • InChI: InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,
    5-6H,3-4H2
  • Risk Statements: S26;S29;S36/37/39;S45;S61
  • Molecular Formula: C9H8Cl3NO2S
  • Molecular Structure:CAS No:133-06-2 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione

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References of 2-(trichloromethylsulfanyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Title: Captan
CAS Registry Number: 133-06-2
CAS Name: 3a,4,7,7a-Tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)-dione
Synonyms: N-(trichloromethylthio)-4-cyclohexene-1,2-dicarboximide; N-trichloromethylthio-3a,4,7,7a-tetrahydrophthalimide; N-trichloromethylmercapto-4-cyclohexene-1,2-dicarboximide; N-(trichloromethylmercapto)-D4-tetrahydrophthalimide
Manufacturers' Codes: ENT-26538; SR-406
Trademarks: Merpan; Orthocide-406; Vancide 89
Molecular Formula: C9H8Cl3NO2S
Molecular Weight: 300.59
Percent Composition: C 35.96%, H 2.68%, Cl 35.38%, N 4.66%, O 10.65%, S 10.67%
Literature References: Prepn: A. R. Kittleson, US 2553771; US 2653155; US 2713058 (1951, 1953, 1955 all to Standard Oil); idem, Science 115, 84 (1952); idem, J. Agric. Food Chem. 1, 677 (1953). Colorimetric determination: A. R. Kittleson, Anal. Chem. 24, 1173 (1952). Review of mutagenicity studies: B. A. Bridges, Mutat. Res. 32, 3 (1975); of carcinogenic risk: IARC Monographs 30, 295-318 (1983).
Properties: Odorless crystals from CCl4, mp 178°. d 1.74. Practically insol in water. Soly at 26° in g/100 ml: chloroform 7.78; tetrachloroethane 8.15; cyclohexanone 4.96; dioxane 4.70; benzene 2.13; toluene 0.69; heptane 0.04; ethanol 0.29; ether 0.25. LD50 orally in rats: 9000 mg/kg (Bridges).
Melting point: mp 178°
Density: d 1.74
Toxicity data: LD50 orally in rats: 9000 mg/kg (Bridges)
CAUTION: Potential symptoms of overexposure are irritation of eyes, skin, upper respiratory system; blurred vision; dermatitis, skin sensitization; dyspnea; diarrhea, vomiting. Potential occupational carcinogen. See NIOSH Pocket Guide to Chemical Hazards (DHHS/NIOSH 97-140, 1997) p 50.
Use: Fungicide; bacteriostat in soap.