1,3-Isobenzofurandione, 4,5,6,7-tetrachloro-
- Formula: C8Cl4O3
- Molecular weight: 285.896
- IUPAC Standard InChI: InChI=1S/C8Cl4O3/c9-3-1-2(8(14)15-7(1)13)4(10)6(12)5(3)11
- IUPAC Standard InChIKey: AUHHYELHRWCWEZ-UHFFFAOYSA-N
- CAS Registry Number: 117-08-8
- 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: Phthalic anhydride, tetrachloro-; Niagathal; Tetrachlorophthalic anhydride; 1,3-Dioxo-4,5,6,7-tetrachloroisobenzofuran; NCI-C61585; 3,4,5,6-Tetrachlorophthalic anhydride; Tetrachlorophthalic acid anhydride; 4,5,6,7-Tetrachloro-isobenzofuran-1,3-dione; 4,5,6,7-Tetrachloro-1,3-isobenzofurandione; Tetrathal; 1,3-Isobenzofurandione, tetrachloro-; 1,3-Dioxy-4,5,6,7-tetrachloroisobenzofuran; NSC 1484
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Gas phase ion energetics data
Go To: Top, 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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
B - John E. Bartmess
Electron affinity determinations
| EA (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.956 ± 0.087 | IMRE | Paul and Kebarle, 1989 | ΔGea(423 K) = -43.8±1 kcal/mol, ΔS(est) = -3±3 eu; B |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.8 ± 0.2 | EI | Grutzmacher and Hubner, 1969 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6Cl4+ | 14.3 ± 0.2 | ? | EI | Grutzmacher and Hubner, 1969 | RDSH |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Paul and Kebarle, 1989
Paul, G.; Kebarle, P.,
Electron Affinities of Cyclic Unsaturated Dicarbonyls: Maleic Anhydrides, Maleimides, and Cyclopentendione,
J. Am. Chem. Soc., 1989, 111, 2, 464, https://doi.org/10.1021/ja00184a009
. [all data]
Grutzmacher and Hubner, 1969
Grutzmacher, H.-F.; Hubner, J.,
Massenspektrometrie instabiler molekule. III: Nachweis und untersuchungen zur stabilitat chlorsubstituierter dehydrobenzole in der gasphase,
Org. Mass Spectrom., 1969, 2, 649. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy EA Electron affinity - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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