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Basic Information
CAS No.: 6381-61-9
Name: 1,2-benzisothiazol-3(2H)-one 1,1-dioxide, ammonium salt
Molecular Structure:
Molecular Structure of 6381-61-9 (1,2-benzisothiazol-3(2H)-one 1,1-dioxide, ammonium salt)
Formula: C7H5 N O3 S . H3 N
Molecular Weight: 200.218
Synonyms: 1,2-Benzisothiazol-3(2H)-one,1,1-dioxide, ammonium salt (9CI); 1,2-Benzisothiazolin-3-one, 1,1-dioxide,ammonium salt (8CI); Ammonium saccharin; Daramin; Saccharin ammonium
Density: 1.557g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Hazard Symbols: A severe eye irritant.
Safety: A severe eye irritant. When heated to decomposition emits toxic fumes of NOx.
PSA: 78.35000
LogP: 1.53380
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    1,2-Benzisothiazol-3(2H)-one,1,1-dioxide, ammonium salt (1:1)

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    1,2-BENZISOTHIAZOL-3(2H)-ONE,1,1-DIOXIDE,AMMONIUM SALTCASAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Chemistry

Molecule structure of Ammonium saccharin (CAS NO.6381-61-9):

IUPAC Name: Azanium 1,1-Dioxo-1,2-benzothiazol-3-olate 
Molecular Weight: 200.21502 g/mol
Molecular Formula: C7H8N2O3S 
Boiling Point: 431.1 °C at 760 mmHg
Flash Point: 214.5 °C
Enthalpy of Vaporization: 68.67 kJ/mol
Vapour Pressure: 1.23E-07 mmHg at 25 °C
H-Bond Donor: 1
H-Bond Acceptor: 4
Exact Mass: 200.025563
MonoIsotopic Mass: 200.025563
Topological Polar Surface Area: 70.6
Heavy Atom Count: 13
Complexity: 314
Canonical SMILES: C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-].[NH4+]
InChI: InChI=1S/C7H5NO3S.H3N/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;/h1-4H,(H,8,9);1H3
InChIKey: XTPLQANXHDDXIH-UHFFFAOYSA-N
EINECS: 228-971-8

Uses

 Ammonium saccharin (CAS NO.6381-61-9) is used as no nutritional sweeteners. It slao can be used in Bacon, bakery products, solid drinks, soft drinks, gum, sweets, juices, jams, chewing vitamin tablets by EEC(1990).

Production

 O-amino benzoic acid methyl ester obtained saccharin, and then ammonium hydroxide neutralization, refining.

Toxicity Data With Reference

1.    

eye-rbt 100 mg SEV

     LPPTAK    Labo-Pharma-Problemes et Techniques 24 (1976),598.

Safety Profile

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

Specification

 Ammonium saccharin (CAS NO.6381-61-9) is also named as 1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, ammonium salt ; 1,2-Benzisothiazolin-3-one, 1,1-dioxide, ammonium salt ; Ammonium 1,2-benzisothiazolin-3(2H)-one 1,1-dioxide ; Ammonium 1,2-benzisothiazolin-3-one 1,1-dioxide ; Ammonium O-benzosulfimide ; Daramin ; Saccharin ammonium ; Saccharinate ammonium ; Saccharinate ammonium [French] ; UNII-63Q3BCF15A . Ammonium saccharin is white crystal or crystalline powder with a strong sweet ignorance and bitter aftertaste. It is soluble in water. Ammonium saccharin is flammable. It will produce toxic nitrogen oxide and ammonia fumes by heat. So the storage environment should be ventilate, low-temperature and dry.