Tetrachloroisophthalonitrile
- Formula: C8Cl4N2
- Molecular weight: 265.911
- IUPAC Standard InChI: InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
- IUPAC Standard InChIKey: CRQQGFGUEAVUIL-UHFFFAOYSA-N
- CAS Registry Number: 1897-45-6
- 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: 1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-; Isophthalonitrile, tetrachloro-; m-Tetrachlorophthalodinitrile; Bravo; Bravo 6F; Chlorthalonil; Daconil; Daconil 2787; DAC 2787; Forturf; Nopcocide N 96; Sweep; Termil; Tetrachloro-m-phthalodinitrile; Tetrachloroisophthalodinitrile; Tpn (pesticide); 1,3-Dicyanotetrachlorobenzene; 2,4,5,6-Tetrachloroisophthalonitrile; Bravo-W-75; Chloroalonil; Daconil 2787 flowable fungicide; Dacosoil; Exotherm; Exotherm termil; Isophthalonitrile, 2,4,5,6-tetrachloro-; NCI-C00102; Nopcocide; Nopcocide N40D & N96; Tetrachlorisoftalonitril; 2,4,5,6-Tetrachloro-3-cyanobenzonitrile; meta-Tetrachlorophthalodinitrile; m-Tetrachlorophthalonitrile; m-TCPN; TPN; 1,3-Dicyano-2,4,5,6-tetrachlorobenzene; 2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile; 2,4,5,6-Tetrachloro-1,3-dicyanobenzene; Chlorothalonil; Benzenedicarbonitrile, 2,4,5,6-tetrachloro-; Bravo 500; Clortosip; Faber; Repulse; Siclor; Tetrachloro-1,3-dicyanobenzene; Tripart faber; Tripart ultrafaber; Vanox; Daconil 1000; Daconil M; Dakoflo; Hortyl; 2,4,5,6-Tetrachloro-1,3-isophthalonitrile; Bravo 720; Bravo Ultrex; Tetrachlorobenzene-1,3-dicarbonitrile; Thalonil; Tuffcide; Taloberg; Sipcam UK rover 500; Nuocide; 101963-73-9; 342632-51-3; 37223-69-1
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Phase change data
Go To: Top, 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tfus | 526.72 | K | N/A | Donnelly, Drewes, et al., 1990 | Uncertainty assigned by TRC = 0.2 K; TRC |
| Tfus | 526.2 | K | N/A | Plato, 1972 | Uncertainty assigned by TRC = 0.2 K; TRC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 16.0 | 373. to 403. | GC | Goel, McConnell, et al., 2007 | AC |
Enthalpy of sublimation
| ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 26.08 | 378. | ME,GS | Stephenson and Malanowski, 1987 | Based on data from 363. to 418. K. See also Pablo, 2000.; AC |
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 7.2 | 526.2 | DSC | Donnelly, Drewes, et al., 1990, 2 | AC |
Gas Chromatography
Go To: Top, Phase change data, 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 | 1787. | 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 | 1795. | Tanabe, Mitobe, et al., 2000 | 30. m/0.32 mm/0.25 μm; Program: 50C(1min) => 20C/min => 150C => 10C/min => 280C(4min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane | 1829. | Hayakawa, Niinomi, et al., 1990 | 25. m/0.32 mm/0.52 μm, He, 6. K/min; Tstart: 60. C; Tend: 270. C |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Donnelly, Drewes, et al., 1990
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W.,
Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry,
Thermochim. Acta, 1990, 167, 2, 155, https://doi.org/10.1016/0040-6031(90)80476-F
. [all data]
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]
Goel, McConnell, et al., 2007
Goel, Anubha; McConnell, Laura L.; Torrents, Alba,
Determination of vapor pressure-temperature relationships of current--use pesticides and transformation products,
Journal of Environmental Science and Health, Part B, 2007, 42, 4, 343-349, https://doi.org/10.1080/03601230701309494
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Pablo, 2000
Pablo, R.S. De,
The vapour pressure of tetrachloroisophthalonitrile by the effusion method,
J. Phys. D: Appl. Phys., 2000, 13, 2, 313-319, https://doi.org/10.1088/0022-3727/13/2/028
. [all data]
Donnelly, Drewes, et al., 1990, 2
Donnelly, J.R.; Drewes, L.A.; Johnson, R.L.; Munslow, W.D.; Knapp, K.K.; Sovocool, G.W.,
Purity and heat of fusion data for environmental standards as determined by differential scanning calorimetry,
Thermochimica Acta, 1990, 167, 2, 155-187, https://doi.org/10.1016/0040-6031(90)80476-F
. [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]
Hayakawa, Niinomi, et al., 1990
Hayakawa, S.; Niinomi, J.; Kato, S.; Kanamaru, T.,
Retention time and mass number of agrochemicals by capillary column GC/MS,
Mie-ken Kankyo-Kagaku Senta-kenkyu-ho-koku (Report of the Environmental Science Institute of Mie Prefecture), 1990, 10, 53-56. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔsubH Enthalpy of sublimation ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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