Thionyl chloride
- Formula: Cl2OS
- Molecular weight: 118.970
- IUPAC Standard InChI: InChI=1S/Cl2OS/c1-4(2)3
- IUPAC Standard InChIKey: FYSNRJHAOHDILO-UHFFFAOYSA-N
- CAS Registry Number: 7719-09-7
- 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: Sulfinyl chloride; Sulfur chloride oxide (Cl2SO); Sulfurous dichloride; Sulfurous oxychloride; Thionyl dichloride; SOCl2; Sulfur chloride oxide; UN 1836; Sulfinyl dichloride; Sulfur oxychloride; Sulfur oxychloride (SOCl2); Thionyl chloride (SOCl2)
- 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:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Vibrational and/or electronic energy levels
Go To: Top, 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: 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 | SO str | 1251 | C | 1251 VS | gas | 1230 W p | liq. | ||
| a' | 2 | SCl2 s-str | 492 | C | 492 VS | gas | 490 M p | liq. | ||
| a' | 3 | OSCl deform | 344 | D | 344 S p | liq. | ||||
| a' | 4 | SCl2 scis | 194 | D | 194 M p | liq. | ||||
| a | 5 | SCl2 a-str | 455 | C | 455 VS | gas | 445 W dp | liq. | ||
| a | 6 | OSCl deform | 284 | D | 284 M dp | liq. | ||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| p | Polarized |
| dp | Depolarized |
| 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 II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [all data]
Notes
Go To: Top, Vibrational and/or electronic energy levels, 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.