Acetamide, N-(4-bromophenyl)-
- Formula: C8H8BrNO
- Molecular weight: 214.059
- 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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Phase change data
Go To: Top, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔsubH° | 26.3 ± 1. | kcal/mol | Fus+Vap | Vecchio and Tomassetti, 2009 |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference |
---|---|---|---|
19. ± 0.5 | 480. | TGA | Vecchio and Tomassetti, 2009 |
18. ± 0.2 | 460. | TGA | Vecchio and Tomassetti, 2009 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference |
---|---|---|
6.21 | 440.3 | Barrio, Espeau, et al., 2009 |
6.17 | 441.2 | Vecchio, Catalani, et al., 2004 |
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 |
IR Spectrum
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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 by: Coblentz Society, Inc.
Condensed Phase Spectrum
Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COPYRIGHT (C) 1988 by COBLENTZ SOCIETY INC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | DOW CHEMICAL COMPANY |
Source reference | COBLENTZ NO. 06065 |
Date | 1962/05/22 |
Name(s) | N-(4-bromophenyl)acetamide |
State | SOLID (SPLIT MULL) |
Instrument | DOW KBr FOREPRISM-GRATING |
Instrument parameters | BLAZED AT 3.5, 12.0, 20.0 MICRON AND CHANGED AT 5.0, 7.5, 14.9 MICRON |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Melting point | 166 C |
Mass spectrum (electron ionization)
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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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
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 | MUS56 A. Mujsce, AT&T Bell Labs., Murray Hill, N.J., USA |
NIST MS number | 115452 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Lang (editor), 1961 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 19752 |
Instrument | Beckman Model DU |
Melting point | 167 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Vecchio and Tomassetti, 2009
Vecchio, Stefano; Tomassetti, Mauro,
Vapor pressures and standard molar enthalpies, entropies and Gibbs energies of sublimation of three 4-substituted acetanilide derivatives,
Fluid Phase Equilibria, 2009, 279, 1, 64-72, https://doi.org/10.1016/j.fluid.2009.02.001
. [all data]
Barrio, Espeau, et al., 2009
Barrio, Maria; Espeau, Philippe; Tamarit, Josep Lluis; Perrin, Marc-Antoine; Veglio, Nestor; Ceolin, René,
Polymorphism of progesterone: Relative stabilities of the orthorhombic phases I and II inferred from topological and experimental pressure-temperature phase diagrams,
J. Pharm. Sci., 2009, 98, 5, 1657-1670, https://doi.org/10.1002/jps.21541
. [all data]
Vecchio, Catalani, et al., 2004
Vecchio, Stefano; Catalani, Alessia; Rossi, Vanessa; Tomassetti, Mauro,
Thermal analysis study on vaporization of some analgesics. Acetanilide and derivatives,
Thermochimica Acta, 2004, 420, 1-2, 99-104, https://doi.org/10.1016/j.tca.2003.09.039
. [all data]
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]
Lang (editor), 1961
Lang (editor), L.,
Absorption Spectra in the Ultraviolet and Visible Region, 1961, 2, 189. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, References
- Symbols used in this document:
AE Appearance energy ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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