Butane, 1-bromo-3-methyl-
- Formula: C5H11Br
- Molecular weight: 151.045
- IUPAC Standard InChI: InChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
- IUPAC Standard InChIKey: YXZFFTJAHVMMLF-UHFFFAOYSA-N
- CAS Registry Number: 107-82-4
- 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: Isoamyl bromide; Isopentyl bromide; 1-Bromo-3-methylbutane; 3-Methylbutyl bromide; 4-Bromo-2-methylbutane; BrCH2CH2CH(CH3)2; UN 2341
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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- 902 |
| NIST MS number | 227752 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Apiezon L | 100. | 856. | Castello and D'Amato, 1985 | He, Chromosorb W AW DMCS; Column length: 3. m |
| Packed | Apiezon L | 125. | 867. | Castello and D'Amato, 1985 | He, Chromosorb W AW DMCS; Column length: 3. m |
| Packed | Apiezon L | 75. | 853. | Castello and D'Amato, 1985 | He, Chromosorb W AW DMCS; Column length: 3. m |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 100. | 1002. | Castello and D'Amato, 1985 | He, Chromosorb W AW DMCS; Column length: 3. m |
| Packed | Carbowax 20M | 125. | 1009. | Castello and D'Amato, 1985 | He, Chromosorb W AW DMCS; Column length: 3. m |
| Packed | Carbowax 20M | 75. | 991. | Castello and D'Amato, 1985 | He, Chromosorb W AW DMCS; Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-54 | 796. | Weber, 1986 | 25. m/0.31 mm/0.17 μm, H2, 2. K/min; Tstart: 35. C |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Apiezon L | 130. | 794. | Arruda, Junkes, et al., 2008 |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 837. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Castello and D'Amato, 1985
Castello, G.; D'Amato, G.,
Gas Chromatography Separation and Identification of Linear and Branched-Chain Alkyl Bromides,
J. Chromatogr., 1985, 324, 363-371, https://doi.org/10.1016/S0021-9673(01)81335-2
. [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]
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]
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
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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