Broxyquinoline
- Formula: C9H5Br2NO
- Molecular weight: 302.950
- IUPAC Standard InChI: InChI=1S/C9H5Br2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
- IUPAC Standard InChIKey: ZDASUJMDVPTNTF-UHFFFAOYSA-N
- CAS Registry Number: 521-74-4
- 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: 8-Quinolinol, 5,7-dibromo-; Brodiar; Broxyquinolin; Colepur; Colipar; 5,7-Dibromo-8-hydroxyquinoline; Dibromoksin; 5,7-Dibromooxine; Dibromoquin; 5,7-Dibromo-8-quinolinol; Dibromoxin; Dibromoxine; Dibromoxyquinoline; Fenilor; Paramiba; Paramibe; Broxiquinoline; Broxykinolin; 5,7-Dibromoquinolin-8-ol; Intensopan; NSC 1810
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Gas phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 76.8 ± 3.1 | kJ/mol | Ccr | Ribeiro da Silva, Ferrao, et al., 1995 | HBr(1:600 H2O) |
Condensed phase thermochemistry 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | -40.5 ± 2.8 | kJ/mol | Ccr | Ribeiro da Silva, Ferrao, et al., 1995 | HBr(1:600 H2O) |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -4171.9 ± 2.5 | kJ/mol | Ccr | Ribeiro da Silva, Ferrao, et al., 1995 | HBr(1:600 H2O) |
Phase change 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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 117.3 ± 1.3 | kJ/mol | ME | Ribeiro da Silva and Monte, 1992 | Based on data from 365. - 380. K.; AC |
| ΔsubH° | 94.1 ± 0.8 | kJ/mol | V | Horton and Wendlandt, 1963 | ALS |
Enthalpy of sublimation
| ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 113.6 ± 1.3 | 372. | ME | Ribeiro da Silva and Monte, 1992 | Based on data from 365. - 380. K.; AC |
| 94.1 | 363. - 393. | N/A | Horton and Wendlandt, 1963 | AC |
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
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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 | COBLENTZ SOCIETY Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | WYANDOTTE CHEMICALS CORP., WYANDOTTE, MICHIGAN, USA |
| Source reference | COBLENTZ NO. 3764 |
| Date | Not specified, most likely prior to 1970 |
| State | SOLID (MINERAL OIL MULL) |
| Instrument | Not specified, most likely a prism, grating, or hybrid spectrometer. |
| Path length | SPECTRAL CONTAMINATION DUE TO OIL AROUND 2900 CM-1 |
| Resolution | 4 |
| Sampling procedure | TRANSMISSION |
| Data processing | DIGITIZED BY NIST FROM HARD COPY |
| Melting point | 198-200 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
View image of digitized spectrum (can be printed in landscape orientation).
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 | Japan AIST/NIMC Database- Spectrum MS-NW-1880 |
| NIST MS number | 230765 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ribeiro da Silva, Ferrao, et al., 1995
Ribeiro da Silva, M.A.V.; Ferrao, M.L.C.C.H.; Alves da Silva, M.R.O.,
Standard enthalpies of combustion of five halogen-substituted 8-hydroxyquinolines by rotating-bomb calorimetry,
J. Chem. Thermodyn., 1995, 27, 633-641. [all data]
Ribeiro da Silva and Monte, 1992
Ribeiro da Silva, M.A.V.; Monte, M.J.S.,
Vapour pressures and enthalpies of sublimation of six halogen-substituted 8-hydroxyquinolines,
J. Chem. Thermodyn., 1992, 24, 715-724. [all data]
Horton and Wendlandt, 1963
Horton, G.R.; Wendlandt, W.W.,
The heats of dissociation of the 8-quinolinol and substituted 8-quinolinol metal chelates of uranium (VI), thorium (IV) and scandium (III),
J. Inorg. Nucl. Chem., 1963, 25, 241-245. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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