Benzenamine, 2-bromo-
- Formula: C6H6BrN
- Molecular weight: 172.023
- IUPAC Standard InChI: InChI=1S/C6H6BrN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
- IUPAC Standard InChIKey: AOPBDRUWRLBSDB-UHFFFAOYSA-N
- CAS Registry Number: 615-36-1
- 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: Aniline, o-bromo-; o-Aminobromobenzene; o-Bromoaniline; 2-Bromoaniline
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Phase change data
Go To: Top, Gas phase ion energetics data, 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:
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 502.2 | K | N/A | Weast and Grasselli, 1989 | BS |
| Tboil | 502. | K | N/A | Buckingham and Donaghy, 1982 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 305. | K | N/A | Buckingham and Donaghy, 1982 | BS |
| Tfus | 301.8 | K | N/A | Buckingham and Donaghy, 1982 | BS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔsubH° | 75.0 ± 1.4 | kJ/mol | C | Ribeiro da Silva, Ferreira, et al., 2006 | AC |
Reduced pressure boiling point
| Tboil (K) | Pressure (bar) | Reference | Comment |
|---|---|---|---|
| 411. to 414. | 0.064 to 0.071 | Buckingham and Donaghy, 1982 | BS |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 16.14 | 304.1 | DSC | Ribeiro da Silva, Ferreira, et al., 2006 | AC |
| 20.04 | 305. | N/A | Khanna, Khetarpal, et al., 1983 | AC |
Gas phase ion energetics data
Go To: Top, Phase change data, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C6H6BrN+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.45 | EI | Baldwin, Loudon, et al., 1976 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H6N+ | 12.50 | Br | EI | Baldwin, Loudon, et al., 1976 |
References
Go To: Top, Phase change data, 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.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Ribeiro da Silva, Ferreira, et al., 2006
Ribeiro da Silva, Manuel A.V.; Ferreira, Ana I.M.C.L.; Gomes, José R.B.,
Experimental and Computational Study on the Thermochemistry of Bromoanilines,
Bull. Chem. Soc. Jpn., 2006, 79, 12, 1852-1859, https://doi.org/10.1246/bcsj.79.1852
. [all data]
Khanna, Khetarpal, et al., 1983
Khanna, M.S.; Khetarpal, S.C.; Lal, K.; Bhatnagar, H.L.,
Thermodynamic studies on melting of some o-, m-, and p-halogen derivatives of aniline,
Indian J. Pure Appl. Phys., 1983, 20, 6, 503. [all data]
Baldwin, Loudon, et al., 1976
Baldwin, M.A.; Loudon, A.G.; Maccoll, A.; Webb, K.S.,
The nature and fragmentation pathways of the molecular ions of some arylureas, arylthioureas, acetanilides, thioacetanilides and related compounds,
Org. Mass Spectrom., 1976, 11, 1181. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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