- Formula: C6H3N3O6
- Molecular weight: 213.1045
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: UATJOMSPNYCXIX-UHFFFAOYSA-N
- CAS Registry Number: 99-35-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Benzene,1,3,5-trinitro-; s-Trinitrobenzene; syn-Trinitrobenzene; Trinitrobenzeen; Trinitrobenzene; Trinitrobenzol; TNB; Rcra waste number U234; NSC 36931; sym-Trinitrobenzene
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Ion clustering data
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Data compiled as indicated in comments:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
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+ = ( )
By formula: Br- + C6H3N3O6 = (Br- C6H3N3O6)
|rS°||92.||J/mol*K||N/A||Paul and Kebarle, 1991||gas phase; 1,3,5-trinitrobenzene, Entropy change calculated or estimated; M|
|rG°||54.8 ± 4.2||kJ/mol||IMRE||Paul and Kebarle, 1991||gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B|
Free energy of reaction
|rG° (kJ/mol)||T (K)||Method||Reference||Comment|
|54.8||423.||PHPMS||Paul and Kebarle, 1991||gas phase; 1,3,5-trinitrobenzene, Entropy change calculated or estimated; M|
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Paul and Kebarle, 1991
Paul, G.J.C.; Kebarle, P., Stabilities of Complexes of Br- with Substituted Benzenes (SB) Based on Determinations of the Gas-Phase Equilibria Br- + SB = (BrSB)-, J. Am. Chem. Soc., 1991, 113, 4, 1148, https://doi.org/10.1021/ja00004a014 . [all data]
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- Symbols used in this document:
T Temperature rG° Free energy of reaction at standard conditions rS° Entropy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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