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 Chromatography, 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 Chromatography
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1 | 1178.5 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | TR-1 | 1173. | Gruzdev, Alferova, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C |
| Capillary | TR-1 | 1173. | Gruzdev, Filippova, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C |
| Capillary | Ultra-1 | 1172. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
References
Go To: Top, Phase change data, Gas Chromatography, 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]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [all data]
Gruzdev, Alferova, et al., 2011
Gruzdev, I.V.; Alferova, M.V.; Kondratenok, B.M.; Zenkevich, I.G.,
Gas-chromatographic identification of chloro- and bromosubstituted anilines using retention indices,
Rus. J. Anal. Chem., 2011, 66, 5, 519-524. [all data]
Gruzdev, Filippova, et al., 2011
Gruzdev, I.V.; Filippova, M.V.; Zenkevich, I.G.; Kondratenok, B.M.,
Identification of bromination products of chlorosubstituted anilines in aqueous media by using gas chromatography,
Rus. J. Applied Chem., 2011, 84, 10, 1656-1667, https://doi.org/10.1134/S1070427211100132
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
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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