Benzothiazole, 2-methyl-6-nitro-

• Formula: C₈H₆N₂O₂S
• Molecular weight: 194.210
• IUPAC Standard InChI: InChI=1S/C8H6N2O2S/c1-5-9-7-3-2-6(10(11)12)4-8(7)13-5/h2-4H,1H3 Copy

  
• IUPAC Standard InChIKey: YAQKYKGFPQPPQE-UHFFFAOYSA-N Copy
• CAS Registry Number: 2941-63-1
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  View 3d structure (requires JavaScript / HTML 5)
• Other names: 2-Methyl-6-nitrobenzothiazole
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas phase ion energetics data
  • IR Spectrum
  • References
  • Notes
• Options:
  • Switch to SI units

Gas phase ion energetics data

Go To: Top, IR Spectrum, 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

Ionization energy determinations

IR Spectrum

Go To: Top, Gas phase ion energetics data, References, Notes

Data compiled by: Coblentz Society, Inc.

• SOLID (KBr DISC); BECKMAN IR-9 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution
• SOLID (SPLIT MULL); DOW KBr FOREPRISM-GRATING; DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm^-1 resolution

References

Go To: Top, Gas phase ion energetics data, IR Spectrum, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Salmona, Faure, et al., 1975
Salmona, G.; Faure, R.; Vincent, E.-J., Structure electronique en serie benzothiazolique: Spectres photoelectroniques et calculs C.N.D.O., C.R. Acad. Sci. Ser. 3:, 1975, 280, 605. [all data]

Notes

Go To: Top, Gas phase ion energetics data, IR Spectrum, 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.