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:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• 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
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Phase change data
• Options:
  • Switch to calorie-based units

Data at NIST subscription sites:

• NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

IR Spectrum

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References, Notes

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

Gas Phase Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

Go To: Top, IR Spectrum, Gas Chromatography, References, Notes

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

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

For Zoom

1.) Enter the desired X axis range (e.g., 100, 200)

2.) Check here for automatic Y scaling

3.) Press here to zoom

Additional Data

Gas Chromatography

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), References, Notes

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

View large format table.

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

View large format table.

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

View large format table.

References

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes

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

Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
• The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
• Customer support for NIST Standard Reference Data products.