- Formula: C8H3F6NO2
- Molecular weight: 259.1053
- IUPAC Standard InChI:
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- IUPAC Standard InChIKey: GMUWJDVVXLBMEZ-UHFFFAOYSA-N
- CAS Registry Number: 328-75-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: 3,5-di(Trifluoromethyl)nitrobenzene; 5-Nitro-1,3-bis(trifluoromethyl)benzene; «alpha»,«alpha»,«alpha»,«alpha»',«alpha»',«alpha»'-Hexafluoro-5-nitro-m-xylene; Benzene, 1-nitro-3,5-bis(trifluoromethyl)-; «alpha»,«alpha»,«alpha»,«alpha»',«alpha»',«alpha»'-hexafluoro-5-nitroxylene
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- Information on this page:
- Other data available:
Reaction thermochemistry data
Go To: Top, Mass spectrum (electron ionization), 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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+ = ( )
By formula: Br- + C8H3F6NO2 = (Br- C8H3F6NO2)
|rH°||73.6 ± 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; 3,5-(CF3)-nitrobenzene, Entropy change calculated or estimated; M|
|rG°||34. ± 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|
|34.||423.||PHPMS||Paul and Kebarle, 1991||gas phase; 3,5-(CF3)-nitrobenzene, Entropy change calculated or estimated; M|
Mass spectrum (electron ionization)
Go To: Top, Reaction thermochemistry data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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|Owner||NIST Mass Spectrometry Data Center|
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
|Origin||Japan AIST/NIMC Database- Spectrum MS-IW-2179|
|NIST MS number||238903|
Go To: Top, Reaction thermochemistry data, Mass spectrum (electron ionization), 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, Mass spectrum (electron ionization), 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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