Ethane, 1-bromo-2-chloro-
- Formula: C2H4BrCl
- Molecular weight: 143.410
- IUPAC Standard InChI: InChI=1S/C2H4BrCl/c3-1-2-4/h1-2H2
- IUPAC Standard InChIKey: IBYHHJPAARCAIE-UHFFFAOYSA-N
- CAS Registry Number: 107-04-0
- 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: β-Chloroethyl bromide; s-Chlorobromoethane; Ethylene chlorobromide; 1-Bromo-2-chloroethane; 1-Chloro-2-bromoethane; 1,2-Bromochloroethane; 1,2-Chlorobromoethane; 2-Bromo-1-chloroethane; 2-Bromoethyl chloride; 2-Chloroethyl bromide; CH2BrCH2Cl; sym-Chlorobromoethane; NSC 60186
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Vibrational and/or electronic energy levels
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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: Takehiko Shimanouchi
Trans form Symmetry: Cs Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a' | 1 | CH2 s-str | 2960 | D | 2960 | liq. | SF(ν2, )gauche ν3, gauche ν4 | |||
| a' | 2 | CH2 s-str | 2960 | D | 2960 | liq. | SF(ν1, )gauche ν3, gauche ν4 | |||
| a' | 3 | CH2 scis | 1446 | D | 1446 S | sln. | ||||
| a' | 4 | CH2 scis | 1444 | C | 1444 | liq. | ||||
| a' | 5 | CH2 wag | 1284 | C | 1284 M | sln. | 1284 p | liq. | ||
| a' | 6 | CH2 wag | 1203 | C | 1203 S | sln. | 1203 | liq. | ||
| a' | 7 | CC str | 1052 | C | 1056 M | sln. | 1052 dp | liq. | ||
| a' | 8 | CCl str | 726 | C | 722 S | sln. | 726 p | liq. | ||
| a' | 9 | CBr str | 630 | C | 630 S | sln. | 630 | liq. | ||
| a' | 10 | CCCl deform | 251 | C | 251 p | liq. | SF()gauche ν17 | |||
| a' | 11 | CCBr deform | 202 | C | 202.0 | solid solid | 210 | liq. | ||
| a | 12 | CH2 a-str | 3010 | D | 3010 | liq. | SF(ν13, )gauche ν1, gauche ν2 | |||
| a | 13 | CH2 a-str | 3010 | D | 3010 | liq. | SF(ν12, )gauche ν1, gauche ν2 | |||
| a | 14 | CH2 twist | 1259 | C | 1258 VW | sln. | 1259 | liq. | ||
| a | 15 | CH2 twist | 1111 | D | 1111 M | sln. | ||||
| a | 16 | CH2 rock | 961 | C | 961 VW | sln. | 961 | liq. | ||
| a | 17 | CH2 rock | 763 | D | 763 M | sln. | ||||
| a | 18 | Torsion | 123 | C | 123 | solid solid | ||||
Source: Shimanouchi, 1972
Gauche form Symmetry: C1 Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a | 1 | CH2 a-str | 3010 | D | 3010 | liq. | SF(ν2 )trans ν12, trans ν13 | |||
| a | 2 | CH2 a-str | 3010 | D | 3010 | liq. | SF(ν1 )trans ν12, trans ν13 | |||
| a | 3 | CH2 s-str | 2960 | D | 2960 | liq. | SF(ν4, )trans ν1, trans ν2 | |||
| a | 4 | CH2 s-str | 2960 | D | 2960 | liq. | SF(ν3, )trans ν1, trans ν2 | |||
| a | 5 | CH2 scis | 1428 | D | 1428 S | liq. | 1421 | liq. | OV(ν6) | |
| a | 6 | CH2 scis | 1428 | D | 1428 S | liq. | 1421 | liq. | OV(ν5) | |
| a | 7 | CH2 wag | 1299 | C | 1299 S | liq. | 1299 | liq. | ||
| a | 8 | CH2 wag | 1260 | C | 1260 S | liq. | 1259 | liq. | ||
| a | 9 | CH2 twist | 1190 | D | 1190 M | liq. | 1189 p | liq. | ||
| a | 10 | CH2 twist | 1127 | C | 1127 M | liq. | 1128 dp | liq. | ||
| a | 11 | CC str | 1025 | C | 1025 M | liq. | 1023 | liq. | ||
| a | 12 | CH2 rock | 923 | C | 923 S | liq. | 919 p | liq. | ||
| a | 13 | CH2 rock | 856 | C | 856 S | liq. | 852 | liq. | ||
| a | 14 | CCl str | 664 | C | 664 S | liq. | 665 | liq. | ||
| a | 15 | CBr str | 571 | C | 571 S | liq. | 568 p | liq. | ||
| a | 16 | CCCl deform | 385 | C | 385 dp | liq. | ||||
| a | 17 | CCBr deform | 251 | D | 251 | liq. | SF()trans ν10 | |||
| a | 18 | Torsion | 107 | D | 107 | liq. | ||||
Source: Shimanouchi, 1972
Notes
| S | Strong |
| M | Medium |
| VW | Very weak |
| p | Polarized |
| dp | Depolarized |
| SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
| OV | Overlapped by band indicated in parentheses. |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Vibrational and/or electronic energy levels, References
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