Cyclohexane, bromo-

Formula: C₆H₁₁Br
Molecular weight: 163.056
IUPAC Standard InChI: InChI=1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
IUPAC Standard InChIKey: AQNQQHJNRPDOQV-UHFFFAOYSA-N
CAS Registry Number: 108-85-0
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Bromocyclohexane; Cyclohexyl bromide; 1-Bromocyclohexane
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IR Spectrum

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Data compiled by: Coblentz Society, Inc.

SOLUTION (10% CCl4 FOR 3800-1330, 10% CS2 FOR 1330-430 CM^-1); Not specified, most likely a prism, grating, or hybrid spectrometer.; 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

Gas Chromatography

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Apolane	150.	1009.	Evans and Haken, 1987	He, Chromosorb G AW DCMS; Column length: 3.7 m
Packed	Apolane	150.	1009.	Haken and Vernon, 1986	Chromosorb G AW DCMS; Column length: 3.7 m
Packed	Apiezon L	130.	1023.	Wehrli and Kováts, 1959	Celite; Column length: 2.25 m

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Carbowax 20M	150.	1288.	Haken and Vernon, 1986	Chromosorb G AW DCMS; Column length: 3.7 m; Column diameter: 6.4 mm

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	SE-54	984.	Weber, 1986	25. m/0.31 mm/0.17 μm, H2, 2. K/min; T_start: 35. C
Packed	SE-30	969.	Buchman, Cao, et al., 1984	He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m
Packed	SE-30	969.	Buchman, Cao, et al., 1984	He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Packed	Carbowax 20M	1303.	Buchman, Cao, et al., 1984	He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m
Packed	Carbowax 20M	1303.	Buchman, Cao, et al., 1984	He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m

Normal alkane RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	Methyl Silicone	1023.	N/A	Program: not specified
Packed	SE-30	969.	Buchman, Cao, et al., 1984	He, Chromosorb AW; Column length: 3.05 m; Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	969.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	975.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

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Evans and Haken, 1987
Evans, M.B.; Haken, J.K., Dispersion and selectivity indices of the halogenated derivatives of cyclohexane, benzene and anisole, J. Chromatogr., 1987, 389, 240-244, https://doi.org/10.1016/S0021-9673(01)94428-0 . [all data]

Haken and Vernon, 1986
Haken, J.K.; Vernon, F., Gas chromatography of halogenated derivatives of cyclohexane, benzene and anisole, J. Chromatogr., 1986, 361, 57-61, https://doi.org/10.1016/S0021-9673(01)86893-X . [all data]

Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E., Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen, Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745 . [all data]

Weber, 1986
Weber, L., Utilization of the Sadtler standard RI system in micropollution analyses, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 446-451, https://doi.org/10.1002/jhrc.1240090806 . [all data]

Buchman, Cao, et al., 1984
Buchman, O.; Cao, G.-Y.; Peng, C.T., Structure assignment by retention index in gas-liquid radiochromatography of substituted cyclohexenes, J. Chromatogr., 1984, 312, 75-90, https://doi.org/10.1016/S0021-9673(01)92765-7 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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