Hexane, 1,6-dibromo-
- Formula: C6H12Br2
- Molecular weight: 243.967
- IUPAC Standard InChI: InChI=1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2
- IUPAC Standard InChIKey: SGRHVVLXEBNBDV-UHFFFAOYSA-N
- CAS Registry Number: 629-03-8
- 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: Hexamethylene dibromide; 1,6-Dibromo-n-hexane; 1,6-Dibromohexane; DBH; 1,6-Dibromohexan; Dibromo-1,6 hexane
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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 by: Robert L. Brown and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 516.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | |
| Tboil | 516. | K | N/A | Farchan Laboratories, 1990 |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
- Not specified, most likely a prism, grating, or hybrid spectrometer.; DIGITIZED BY NIST FROM HARD COPY; 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1340, AND 10% IN CS2 FOR 1340-450 CM-1); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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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| 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-1301 |
| NIST MS number | 229010 |
Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-54 | 120. | 1312. | Grigor'eva, Vasil'ev, et al., 1993 | 15. m/0.28 mm/2.4 μm, Ar |
| Capillary | SE-54 | 160. | 1333. | Grigor'eva, Vasil'ev, et al., 1993 | 15. m/0.28 mm/2.4 μm, Ar |
| Packed | SE-30 | 175. | 1299. | Casteignau and Villessot, 1968 | Column length: 3. m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | PEG-40M | 120. | 1764. | Grigor'eva, Vasil'ev, et al., 1993 | 40. m/0.25 mm/0.10 μm, Ar |
| Capillary | PEG-40M | 120. | 1807. | Grigor'eva, Vasil'ev, et al., 1993 | 40. m/0.25 mm/0.10 μm, Ar |
| Packed | Carbowax 20M | 175. | 1763. | Casteignau and Villessot, 1968 | Column length: 3. m |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Apiezon L | 130. | 1310. | Arruda, Junkes, et al., 2008 |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]
Farchan Laboratories, 1990
Farchan Laboratories,
Research Chemicals Catalog, Farchan Laboratories, Gainesville, FL, 1990, 91. [all data]
Grigor'eva, Vasil'ev, et al., 1993
Grigor'eva, D.N.; Vasil'ev, A.V.; Golovnya, R.V.,
Effect of the temperature on the retention indices in homologous series of bifunctional compounds under capillary gas chromatography conditions,
J. Anal. Chem. USSR (Engl. Transl.), 1993, 48, 7, 817-822. [all data]
Casteignau and Villessot, 1968
Casteignau, G.; Villessot, D.,
Identification par chromatographie en phase gaseuse de composés difonctionnels insaturés. I. Synthèse et indices de rétention,
Bull. Soc. Chim. Fr., 1968, 9, 3893-3903. [all data]
Arruda, Junkes, et al., 2008
Arruda, A.C.S.; Junkes, B. da.S.; Souza, E.S.; Yunes, R.A.; Heizen, V.E.F.,
Semi-Emlirical Topological Index to Predict Properties of Halogenated Aliphatic Compounds,
J. Chemometrics, 2008, 22, 3-4, 186-194, https://doi.org/10.1002/cem.1121
. [all data]
Notes
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- Symbols used in this document:
Tboil Boiling point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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