Saccharin

• Formula: C₇H₅NO₃S
• Molecular weight: 183.184
• IUPAC Standard InChI: InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9) Copy

  
• IUPAC Standard InChIKey: CVHZOJJKTDOEJC-UHFFFAOYSA-N Copy
• CAS Registry Number: 81-07-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide; 1,2-Benzisothiazolin-3-one, 1,1-dioxide; o-Benzoic sulfimide; o-Benzosulfimide; o-Benzoyl sulfimide; o-Sulfobenzimide; o-Sulfobenzoic acid imide; Anhydro-o-sulfaminebenzoic acid; Benzoic sulfimide; Benzosulfimide; Garantose; Glucid; Gluside; Hermesetas; Saccharimide; Saccharin acid; Saccharin, insoluble; Saccharine; Saccharinol; Saccharinose; Saccharol; 1,2-Benzisothiazoline-3-one 1,1-dioxide; 1,2-Dihydro-2-ketobenzisosulfonazole; 2,3-Dihydro-3-oxobenzisosulfonazole; 3-Benzisothiazolinone 1,1-dioxide; 3-Hydroxybenzisothiazole S,S-dioxide; 550 Saccharine; o-Benzoic acid sulfimide; 2,3-Dihydro-1,2-benzoisothiazol-3-one-1,1-dioxide; Benzoic sulphimide; o-Benzoic sulphimide; Benzosulphimide; o-Benzosulphimide; Benzo-2-sulphimide; Benzo-sulphinide; o-Benzoyl sulphimide; 1,2-Dihydro-2-ketobenzisosulphonazole; 2,3-Dihydro-3-oxobenzisosulphonazole; Insoluble saccharin; Kandiset; Natreen; RCRA Waste number U202; Sacarina; Saccharina; Sacharin; Saxin; Sucre edulcor; Sucrette; 2-Sulphobenzoic imide; Sykose; Syncal; Zaharina; Sweeta; Benzosulfinide; 1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one; 2-Sulfobenzoic acid imide; 1,1-Dioxo-1,2-benzisothiazol-3(2H)-one; 1,1-Diox-1,2-benzisothiazol-3-one; 1,1-Dioxide-1,2-benzisothiazol-3(2H)-one; 2-Sulfobenzoic imide; Benzisosulfonazole, 2,3-dihydro-3-oxo-; 2,3-Dihydro-1,2-benzisothiazol-3-one-1,1-dioxide; 1,1-Dioxido-3-oxo-2,3-dihydrobenzo[d]isothiazole; Benzoylsulfonic Imide
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• Information on this page:
  • Phase change data
  • References
  • Notes
• Other data available:
  • IR Spectrum
  • 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

Enthalpy of fusion

References

Go To: Top, Phase change data, Notes

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

Grady, Hays, et al., 1973
Grady, L.T.; Hays, S.E.; King, R.H.; Klein, H.R.; Mader, W.J.; Wyatt, D.K.; Zimmere, R.O., Drug purity profiles, J. Pharm. Sci., 1973, 62, 459. [all data]

Bebie, 1930
Bebie, J., Suggestions Related to U. S. P. X Revision, J. Am. Pharm. Assoc., 1930, 19, 371. [all data]

Matos, Miranda, et al., 2005
Matos, R.; Miranda, Margarida S.; Morais, Victor M.F.; Liebman *, Joel F., Saccharin: a combined experimental and computational thermochemical investigation of a sweetener and sulfonamide, Molecular Physics, 2005, 103, 2-3, 221-228, https://doi.org/10.1080/00268970512331316175 . [all data]

Good and Rodriguez-Hornedo, 2009
Good, David J.; Rodriguez-Hornedo, Nair, Solubility Advantage of Pharmaceutical Cocrystals, Crystal Growth & Design, 2009, 9, 5, 2252-2264, https://doi.org/10.1021/cg801039j . [all data]

Basavoju, Boström, et al., 2008
Basavoju, Srinivas; Boström, Dan; Velaga, Sitaram P., Indomethacin--Saccharin Cocrystal: Design, Synthesis and Preliminary Pharmaceutical Characterization, Pharm Res, 2008, 25, 3, 530-541, https://doi.org/10.1007/s11095-007-9394-1 . [all data]

Notes

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• Symbols used in this document:
  

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

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