1,2,5-Oxadiazole
- Formula: C2H2N2O
- Molecular weight: 70.0501
- IUPAC Standard InChI: InChI=1S/C2H2N2O/c1-2-4-5-3-1/h1-2H
- IUPAC Standard InChIKey: JKFAIQOWCVVSKC-UHFFFAOYSA-N
- CAS Registry Number: 288-37-9
- 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: Furazan; Azoxazole; 1-Oxa-2,5-diazacyclopentadiene
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Vibrational and/or electronic energy levels
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 by: Takehiko Shimanouchi
Symmetry: C2ν Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | CH str | 3140 | C | 3140 VW | gas | 3144 VS p | liq. | ||
| a1 | 2 | ip-Ring II | 1418 | B | 1418 S | gas | 1422 VS p | liq. | ||
| a1 | 3 | ip-Ring III | 1316 | B | 1316 M | gas | 1315 VS p | liq. | ||
| a1 | 4 | CH ip-bend | 1038 | D | 1039 sh | gas | 1038 W p | liq. | ||
| a1 | 5 | ip-Ring IV | 1006 | B | 1006 S | gas | 998 M p | liq. | ||
| a1 | 6 | ip-Ring VII | 872 | C | 872 S | gas | 864 M p | liq. | ||
| a2 | 7 | CH op-bend | 824 | D | 824 sh ia | liq. | 824 VW dp | liq. | ||
| a2 | 8 | op-Ring I | 635 | E | ia | OC(2ν8,ν4+ν8,ν8+ν12) | ||||
| b1 | 9 | CH str | 3133 | D | 3133 sh | liq. | ||||
| b1 | 10 | ip-Ring I | 1546 | D | 1546 VW | liq. | ||||
| b1 | 11 | CH ip-bend | 1177 | B | 1177 M | gas | 1172 VW dp | liq. | ||
| b1 | 12 | ip-Ring V | 952 | B | 952 S | gas | 951 W dp | liq. | ||
| b1 | 13 | ip-Ring VI | 889 | B | 889 S | gas | ||||
| b2 | 14 | CH op-bend | 839 | B | 839 VS | gas | ||||
| b2 | 15 | op-Ring II | 631 | B | 631 W | gas | 626 VW dp | liq. | ||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| ia | Inactive |
| sh | Shoulder |
| p | Polarized |
| dp | Depolarized |
| OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
| B | 1~3 cm-1 uncertainty |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
| E | 15~30 cm-1 uncertainty |
Gas Chromatography
Go To: Top, Vibrational and/or electronic energy levels, 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 | Methyl Silicone | 646. | Zenkevich, 1996 | Program: not specified |
References
Go To: Top, Vibrational and/or electronic energy levels, Gas Chromatography, 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]
Zenkevich, 1996
Zenkevich, I.G.,
Informational Maitenance of Gas Chromatographic Identification of Organic Compounds in Ecoanalytical Investigations,
Z. Anal. Chem., 1996, 51, 11, 1140-1148. [all data]
Notes
Go To: Top, Vibrational and/or electronic energy levels, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.