6381-61-9

Basic information

• Product Name: 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, ammonium salt
• Synonyms: 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, ammonium salt;Saccharin ammonium salt;2-Ammonio-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
• CAS NO: 6381-61-9
• Molecular Formula: C₇H₅NO₃S*H₃N
• Molecular Weight: 201.22296
• EINECS: 228-971-8
• Mol File: 6381-61-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Appearance: /
• Density: 1.4342 (rough estimate)
• Vapor Pressure: 1.23E-07mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• CAS DataBase Reference: 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, ammonium salt(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, ammonium salt(6381-61-9)
• EPA Substance Registry System: 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, ammonium salt(6381-61-9)

Safety Data

• Hazardous Substances Data: 6381-61-9(Hazardous Substances Data)

Usage

Chemical Properties

White crystals or crystalline powder; intense sweet taste. Sol in water.

Uses

Food additive.

Hazard

A severe eye irritant.

Safety Profile

A severe eye irritant. When heatedto decomposition emits toxic fumes of NOx.

InChI:InChI=1/C7H5NO3S.H3N/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);1H3/p+1

Upstream product

• 26638-43-7 2-methoxycarbonylbenzenesulfonyl chloride 

Downstream Products

• 91408-37-6 (C₆H₅)2Sn(NCOSO₂C₆H₄)2 
• 83171-58-8 N-triphenylstannyl-4,5-benzisothiazol-3(2H)-one 1,1-dioxide 

Relevant articles and documents

N-DI AND TRI-ORGANOTIN(IV) DERIVATIVES OF SACCHARIN

Eleven N-di and tri-organotin(IV) derivatives of saccharin, RnSn(4-n), where n = 2, R = CH3, C2H5, n-C4H9, C6H5, n-C8H17 and where n = 3, R = CH3, C2H5, n-C3H7, n-C4H9, C6H5, c-C6H11 are synthesized in high yield by reaction of the corresponding organotin(IV) chlorides with the ammonium salt of saccharin in methanol.The products are colorless crystals, soluble in organic solvents.Vibrational spectroscopic band assignments are made for the ν(CO) (1710-1590 cm-1), ν(SO2) (1375-1115 cm-1), ν(Sn-C) (600-500 cm-1) and ν(Sn-NCO) (380-349 cm-1).No fragments of mass greater than the parent molecular ion or containing more than one tin atom are seen in the mass spectra at 12 eV of any of the compounds studied.Only in the triophenyltin(IV) derivative is the parent molecular ion seen.The tin-119m Moessbauer isomer shift (IS) values confirm tin as tin(IV), and the quadrupole splitting (QS) and ρ(QS/IS), values are typical of higher than four-coordination with the NMR2J(119Sn-C-1H) coupling constants of the methyltins in solution corroboratory.From the QS values of the N-diorganotin(IV) derivatives a point charge model is used to calculate the carbon-tin-carbon angles.The magnitudes of these angles suggest that these derivatives have a generally trans-R2Sn configuration with predicted angles in the range 139-180 deg.The N-triorganotin(IV) derivatives have equatorial R3Sn groups which are approximately planar.