2(3H)-Benzoxazolone

• Formula: C₇H₅NO₂
• Molecular weight: 135.1201
• IUPAC Standard InChI: InChI=1S/C7H5NO2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9) Copy

  
• IUPAC Standard InChIKey: ASSKVPFEZFQQNQ-UHFFFAOYSA-N Copy
• CAS Registry Number: 59-49-4
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 2-Benzoxazolinone; Carbamic acid, (2-hydroxyphenyl)-, γ-lactone; 2-Benzoxazolol; 2-Benzoxazolone; Benzoxazolone; Benzoxazole, 2-hydroxy-; Benzoxazolinone; USAF EK-5429; 2-Hydroxybenzoxazole; NSC 3812
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• Information on this page:
  • Phase change data
  • IR Spectrum
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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Phase change data

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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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos

IR Spectrum

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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: Coblentz Society, Inc.

Condensed Phase Spectrum

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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

References

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

Snyder, Elston, et al., 1953
Snyder, H.R.; Elston, C.T.; Kellom, D.B., Phosphoric acid as a reagent in organic chemistry. IV conversion of aromatic acids and their derivatives to amines., J. Am. Chem. Soc., 1953, 75, 2014. [all data]

Morais, Miranda, et al., 2006
Morais, V.M.F.; Miranda, M.S.; Matos, M.A.R.; Liebman, J.F., Experimental and computational thermochemistry of three nitrogen-containing heterocycles: 2-benzimidazolinone, 2-benzoxazolinone and 3-indazolinone, Molecular Physics, 2006, 104, 3, 325-334, https://doi.org/10.1080/00268970500290300 . [all data]

Notes

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• Symbols used in this document:
  

  Tfus	Fusion (melting) point
  ΔsubH°	Enthalpy of sublimation at standard conditions

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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