- Formula: C7H4F3NO2
- Molecular weight: 191.1074
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: NDZJSUCUYPZXPR-UHFFFAOYSA-N
- CAS Registry Number: 384-22-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: o-Nitrobenzotrifluoride; 2-Nitrobenzotrifluoride; Benzene, 1-nitro-2-(trifluoromethyl)-; Toluene, 2-nitro-«alpha»,«alpha»,«alpha»-trifluoro-; o-(Trifluoromethyl)nitrobenzene; Toluene, «alpha»,«alpha»,«alpha»-trifluoro-o-nitro-; 1-Nitro-2-(trifluoromethyl)benzene; «alpha»,«alpha»,«alpha»-Trifluoro-o-nitrotoluene; 2-(Trifluoromethyl)nitrobenzene; o-Nitro-«alpha»,«alpha»,«alpha»-trifluorotoluene; O-nitro-alpha,alpha,alpha-trifluorotoluene
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- Information on this page:
- Other data available:
Reaction thermochemistry data
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Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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+ = ( )
By formula: Br- + C7H4F3NO2 = (Br- C7H4F3NO2)
|rH°||80.3 ± 7.5||kJ/mol||IMRE||Paul and Kebarle, 1991||gas phase; «DELTA»Gaff at 423 K, «DELTA»Saff taken as that of mCF3-nitrobenzene..Br-; B,M|
|rS°||92.||J/mol*K||N/A||Paul and Kebarle, 1991||gas phase; Entropy change calculated or estimated; M|
|rG°||41. ± 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|
|38.||423.||PHPMS||Paul and Kebarle, 1991||gas phase; Entropy change calculated or estimated; M|
Go To: Top, Reaction thermochemistry data, Notes
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]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
T Temperature rG° Free energy of reaction at standard conditions rH° Enthalpy 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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