Captan

• Formula: C₉H₈Cl₃NO₂S
• Molecular weight: 300.589
• IUPAC Standard 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 Copy

  
• IUPAC Standard InChIKey: LDVVMCZRFWMZSG-UHFFFAOYSA-N Copy
• CAS Registry Number: 133-06-2
• Chemical structure:
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• Other names: 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[(trichloromethyl)thio]-; 4-Cyclohexene-1,2-dicarboximide, N-[(trichloromethyl)thio]-; Aacaptan; Amercide; Captaf; Captaf 85W; Captan 50W; Captex; Esso fungicide 406; Flit 406; Fungus Ban Type II; Glyodex 37-22; Kaptan; Malipur; N-[(Trichloromethyl)thio]tetrahydrophthalimide; N-Trichloromethylthio-3a,4,7,7a-tetrahydrophthalimide; Neracid; Orthocide; Orthocide 406; Orthocide 50; Orthocide 7.5; Orthocide 75; Orthocide 83; Ortocid 50; Stauffer captan; SR 406; Vancide 89; Vancide 89RE; Vangard K; Captane; ENT 26,538; Le captane; Merpan; N-((Trichloromethyl)mercapto)-Δ4-tetrahydrophthalimide; N-((Trichloromethyl)mercapto)-4-cyclohexene-1,2-dicarboximide; N-((Trichloromethyl)thio)-4-cyclohexene-1,2-dicarboximide; N-((Trichloromethyl)thio)cyclohex-4-ene-1,2-dicarboximide; NCI-C00077; Vondcaptan; Agrosol S; Agrox 2-way and 3-way; Bangton; Bean seed protectant; Captab; Captancapteneet 26,538; Captan-streptomycin 7.5-0.1 potato seed piece protectant; Granox PFM; Gustafson captan 30-dd; Hexacap; Micro-check 12; Osocide; 3a,4,7,7a-Tetrahydro-N-(trichloromethanesulphenyl)phthalimide; 1,2,3,6-Tetrahydro-N-(trichloromethylthio)phthalimide; Trichlormethylthioamid kyseliny 1,2,3,6-tetrahydroftalove; N-(Trichlor-methylthio)-phthalimid; Trichloromethylthio-1,2,5,6-tetrahydrophthalamide; Vancide P-75; Vanguard K; Vanicide; N-[(Trichloromethyl)thio]-Δ4-tetrahydrophthalimide; Trimegol; 3a,4,7,7a-Tetrahydro-2-[(trichloromethyl)thio]-1H-isoindole-1,3(2H)dione; N-Trichloromethyl-thio-3a,4,7,7a-tetrahydropthalimide; Venturin; Deltan; Bangtan; Kaptazor; Zenecal; Ugecap; Orthocide S 50
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• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
  • IR Spectrum
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Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

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Kovats' RI, non-polar column, custom temperature program

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Normal alkane RI, non-polar column, custom temperature program

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References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Hall, Whitehead, et al., 1986
Hall, G.L.; Whitehead, W.E.; Mourer, C.R.; Shibamoto, T., A new gas chromatographic retention index for pesticides and related compounds, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 5, 266-271, https://doi.org/10.1002/jhrc.1240090503 . [all data]

Tanabe, Mitobe, et al., 2000
Tanabe, A.; Mitobe, H.; Kawata, K.; Sakai, M.; Yasuhara, A., New monitoring system for ninety pesticides and related compounds in river water by solid-phase extraction with determination by gas chromatography/mass spectrometry, J. AOAC Int., 2000, 83, 1, 61-77. [all data]

Osselton and Snelling, 1986
Osselton, M.D.; Snelling, R.D., Chromatographic Identification of Pesticides, J. Chromatogr., 1986, 368, 265-271, https://doi.org/10.1016/S0021-9673(00)91068-9 . [all data]

Ramsey, Lee, et al., 1980
Ramsey, J.D.; Lee, T.D.; Osselton, M.D.; Moffat, A.C., Gas-liquid chromatographic retention indices of 296 non-drug substances on SE-30 or OV-1 likely to be encountered in toxicological analyses, J. Chromatogr., 1980, 184, 2, 185-206, https://doi.org/10.1016/S0021-9673(00)85641-1 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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