Benzene, 1-nitro-3-(trifluoromethyl)-
- Formula: C7H4F3NO2
- Molecular weight: 191.1074
- IUPAC Standard InChIKey: WHNAMGUAXHGCHH-UHFFFAOYSA-N
- CAS Registry Number: 98-46-4
- 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: Toluene, α,α,α-trifluoro-m-nitro-; α,α,α-Trifluoro-m-nitrotoluene; m-(Trifluoromethyl)nitrobenzene; m-Nitrobenzotrifluoride; 1-Nitro-3-(trifluoromethyl)benzene; 3-(Trifluoromethyl)nitrobenzene; 3-Nitrobenzotrifluoride; m-Nitrotrifluorotoluene; 3-Nitro-α,α,α-trifluorotoluene; α,α,α-Trifluoro-3-nitrotoluene; m-Nitrotrifluortoluol; Toluene, 3-nitro-α,α,α-trifluoro-; USAF MA-5; 1,3-Nitrobenzotrifluoride; m-Nitro-α,α,α-trifluorotoluene; NSC 10313; Benzene, 1-trifluoromethyl-3-nitro
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Ion clustering data
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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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: Br- + C7H4F3NO2 = (Br- • C7H4F3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 77.4 ± 7.5 | kJ/mol | TDAs | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 93.3 | J/mol*K | PHPMS | Paul and Kebarle, 1991 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 38. ± 4.2 | kJ/mol | TDAs | Paul and Kebarle, 1991 | gas phase; ΔGaff at 423 K; B |
By formula: Cl- + C7H4F3NO2 = (Cl- • C7H4F3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 81.6 ± 4.2 | kJ/mol | TDAs | Chowdhury and Kebarle, 1986 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 74.9 | J/mol*K | PHPMS | Chowdhury and Kebarle, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 59.0 ± 6.7 | kJ/mol | TDAs | Chowdhury and Kebarle, 1986 | gas phase; B |
By formula: F6S- + C7H4F3NO2 = (F6S- • C7H4F3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.1 ± 4.2 | kJ/mol | TDAs | Chowdhury and Kebarle, 1986 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 38. ± 6.7 | kJ/mol | TDAs | Chowdhury and Kebarle, 1986 | gas phase; B |
By formula: F6S- + C7H4F3NO2 = (F6S- • C7H4F3NO2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 71.1 | kJ/mol | PHPMS | Chowdhury and Kebarle, 1986 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 112. | J/mol*K | PHPMS | Chowdhury and Kebarle, 1986 | gas phase; M |
References
Go To: Top, Ion clustering 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, 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]
Chowdhury and Kebarle, 1986
Chowdhury, S.; Kebarle, P.,
Role of Binding Energies in A-.B and A.B- Complexes in the Kinetics of Gas Phase Electron Transfer Reactions:A- + B = A + B- Involving Perfluoro Compounds: SF6, C6F11CF3,
J. Chem. Phys., 1986, 85, 9, 4989, https://doi.org/10.1063/1.451687
. [all data]
Notes
Go To: Top, Ion clustering data, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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