Oxirane, (bromomethyl)-
- Formula: C3H5BrO
- Molecular weight: 136.975
- IUPAC Standard InChI: InChI=1S/C3H5BrO/c4-1-3-2-5-3/h3H,1-2H2
- IUPAC Standard InChIKey: GKIPXFAANLTWBM-UHFFFAOYSA-N
- CAS Registry Number: 3132-64-7
- 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: Propane, 1-bromo-2,3-epoxy-; (Bromomethyl)ethylene oxide; Epibromhydrin; Epibromohydrin; 1-Bromo-2,3-epoxypropane; 1,2-Epoxy-3-bromopropane; 2-(Bromomethyl)oxirane; (Bromomethyl)oxirane; Epibromohydrine; Propane, 3-bromo-1,2-epoxy-; 3-Bromo-1,2-epoxypropane; UN 2558; (.+/-.)-(Bromomethyl)oxirane; NSC 630; Oxirane, 2-(bromomethyl)-
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Gas phase ion energetics 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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 10.46 | PE | Baker, Betteridge, et al., 1971 | LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| CHO+ | 11.8 ± 0.2 | ? | EI | Wada and Kiser, 1962 | RDSH |
| CH2+ | 21.4 ± 0.5 | ? | EI | Wada and Kiser, 1962 | RDSH |
| CH3+ | 15.6 | ? | EI | Wada and Kiser, 1962 | RDSH |
| CH3O+ | 12.5 ± 0.2 | ? | EI | Wada and Kiser, 1962 | RDSH |
| C2H2+ | 16.7 ± 0.6 | ? | EI | Wada and Kiser, 1962 | RDSH |
| C2H3+ | 14.4 ± 0.2 | ? | EI | Wada and Kiser, 1962 | RDSH |
| C3H5O+ | 10.8 ± 0.1 | Br | EI | Wada and Kiser, 1962 | RDSH |
Gas Chromatography
Go To: Top, Gas phase ion energetics 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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 773. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
| Capillary | SPB-1 | 773. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
| Capillary | SPB-1 | 805. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
| Capillary | OV-1 | 805. | Ramsey and Flanagan, 1982 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1330. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Baker, Betteridge, et al., 1971
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E.,
Application of photoelectron spectrometry to pesticide analysis. II.Photoelectron spectra of hydroxy-, and halo-alkanes and halohydrins,
Anal. Chem., 1971, 43, 375. [all data]
Wada and Kiser, 1962
Wada, Y.; Kiser, R.W.,
Electron impact spectroscopy of some substituted oxiranes,
J. Phys. Chem., 1962, 66, 1652. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J.,
Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse,
J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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