- Formula: C6H5Br
- Molecular weight: 157.008
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: QARVLSVVCXYDNA-UHFFFAOYSA-N
- CAS Registry Number: 108-86-1
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Bromobenzene; Monobromobenzene; Phenyl bromide; 1-Bromobenzene; NCI-C55492; UN 2514
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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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
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C6H7N+ + = (C6H7N+ )
By formula: C6H7N+ + C6H5Br = (C6H7N+ C6H5Br)
Bond type: Charge transfer bond (positive ion)
|rH°||13.6||kcal/mol||PHPMS||Meot-Ner (Mautner) and El-Shall, 1986||gas phase; Entropy change calculated or estimated; M|
|rS°||26.||cal/mol*K||N/A||Meot-Ner (Mautner) and El-Shall, 1986||gas phase; Entropy change calculated or estimated; M|
Free energy of reaction
|rG° (kcal/mol)||T (K)||Method||Reference||Comment|
|5.1||325.||PHPMS||Meot-Ner (Mautner) and El-Shall, 1986||gas phase; Entropy change calculated or estimated; M|
+ = ( )
By formula: Cl- + C6H5Br = (Cl- C6H5Br)
|rG°||6.80||kcal/mol||TDEq||French, Ikuta, et al., 1982||gas phase; B,M|
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Meot-Ner (Mautner) and El-Shall, 1986
Meot-Ner (Mautner), M.; El-Shall, M.S., Ionic Charge Transfer Complexes. 1. Cationic Complexes with Delocalized and Partially Localized pi Systems, J. Am. Chem. Soc., 1986, 108, 15, 4386, https://doi.org/10.1021/ja00275a026 . [all data]
French, Ikuta, et al., 1982
French, M.A.; Ikuta, S.; Kebarle, P., Hydrogen bonding of O-H and C-H hydrogen donors to Cl-. Results from mass spectrometric measurement of the ion-molecule equilibria RH + Cl- = RHCl-, Can. J. Chem., 1982, 60, 1907. [all data]
Go To: Top, Ion clustering 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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