Captan
- Formula: C9H8Cl3NO2S
- Molecular weight: 300.589
- IUPAC Standard InChIKey: LDVVMCZRFWMZSG-UHFFFAOYSA-N
- 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
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Phase change data
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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 447.1 | K | N/A | Plato, 1972 | Uncertainty assigned by TRC = 0.2 K |
IR Spectrum
Go To: Top, Phase change data, 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.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
Gas Chromatography
Go To: Top, Phase change data, IR Spectrum, 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 2019. | Hall, Whitehead, et al., 1986 | He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; Tstart: 100. C; Tend: 270. C |
Capillary | DB-5 | 2079. | Hall, Whitehead, et al., 1986 | He, 6. K/min; Column length: 15. m; Column diameter: 0.25 mm; Tstart: 100. C; Tend: 270. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 2075. | Tanabe, Mitobe, et al., 2000 | 30. m/0.32 mm/0.25 μm; Program: 50C(1min) => 20C/min => 150C => 10C/min => 280C(4min) |
Packed | SE-30 | 2030. | Osselton and Snelling, 1986 | N2, Chromosorb W HP; Column length: 2. m; Program: not specified |
Packed | SE-30 | 2000. | Ramsey, Lee, et al., 1980 | He, Chromosorb G HP (80-100 mesh); Column length: 1.5 m; Program: not specified |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 2000. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Other | Methyl Silicone | 2000. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, Phase change data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Plato, 1972
Plato, C.,
DSC as a general method for determining purity and heat of fusion of high-purity organic chemicals,
Anal. Chem., 1972, 44, 1531. [all data]
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, Phase change data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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