Acetamide, N-(4-bromophenyl)-
- Formula: C8H8BrNO
- Molecular weight: 214.059
- IUPAC Standard InChI: InChI=1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
- IUPAC Standard InChIKey: MSLICLMCQYQNPK-UHFFFAOYSA-N
- CAS Registry Number: 103-88-8
- 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: Acetanilide, 4'-bromo-; p-Bromo-N-acetanilide; p-Bromoacetanilide; Antisepsin; Asepsin; Bromoanilide; Bromoantifebrin; 1-Bromo-4-acetamidobenzene; 4-Bromoacetanilide; 4'-Bromoacetanilide; Acetanilide, p-bromo-; USAF DO-40; 1-(N-Acetylamino)-4-bromobenzene; N-(4-Bromophenyl)acetamide; N-(p-Bromophenyl)acetamide; N-Acetyl-4-bromoaniline; N-Acetyl-p-bromoaniline; Acetamide, N-(p-bromophenyl)-; Bromoacetanilide; Bromoanalide; Monobromoacetanilide; p-Bromoacetanalide; NSC 105442
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Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.17 ± 0.03 | EI | Benezra and Bursey, 1971 | LLK |
| 8.4 ± 0.2 | EI | Gamble, Gilbert, et al., 1970 | RDSH |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C2H3O+ | 13.96 ± 0.03 | ? | EI | Benezra and Bursey, 1971 | LLK |
| C6H6NBr+ | 10.56 ± 0.03 | CH2=C=O | EI | Benezra and Bursey, 1971 | LLK |
| C6H6NBr+ | 10.6 ± 0.2 | ? | EI | Gamble, Gilbert, et al., 1970 | RDSH |
References
Go To: Top, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Benezra and Bursey, 1971
Benezra, S.A.; Bursey, M.M.,
ortho-Effects on ordering factors in mass spectral rearrangements. Loss of keten from halogenated phenyl acetates and acetanilides,
J. Chem. Soc. B, 1971, 1515. [all data]
Gamble, Gilbert, et al., 1970
Gamble, A.A.; Gilbert, J.R.; Tillett, J.G.,
Substituent effects in the fragmentation of acetanilides,,
J. Chem. Soc. B, 1970, 1231. [all data]
Notes
Go To: Top, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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