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Saccharin sodium dihydrate
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Name

Saccharin sodium dihydrate

 EINECS 204-886-1
CAS No. 6155-57-3 Density N/A
PSA 90.08000 LogP 1.51220
Solubility Soluble in water. Slightly soluble in alcohol Melting Point > 300℃
Formula C7H4NNaO3S.2(H2O) Boiling Point 438.9 °C at 760 mmHg
Molecular Weight 241.2 Flash Point 219.3 °C
Transport Information N/A Appearance White crystal powder
Safety 24/25 Risk Codes 22
Molecular Structure Molecular Structure of 6155-57-3 (Saccharin sodium dihydrate) Hazard Symbols HarmfulXn
Synonyms

1,2-Benzisothiazol-3(2H)-one,1,1-dioxide, sodium salt, dihydrate (9CI);1,2-Benzisothiazolin-3-one,1,1-dioxide, sodium salt, dihydrate (8CI);

 

Saccharin sodium dihydrate Synthetic route

chloro(2,2':6',2''-terpyridine)platinum(II) chloride dihydrate

7732-18-5

water

6155-57-3

sodium saccharinate dihydrate

[(2,2':6',2''-terpyridine)chloroplatinum(II)]saccharinatedihydrate

Conditions
ConditionsYield
In water silid metal complex dissolved in H2O at 60°C, treated with 1 equiv. of Na saccharinate dihydrate (2 equiv.), stirred at 60°C for 30 min; treated with EtOH, crystd. at room temp. for 3 d, elem. anal.;95%

[(2,2':6',2''-terpyridine)chloropalladium(II)]chloride dihydrate

7732-18-5

water

6155-57-3

sodium saccharinate dihydrate

[(2,2':6',2''-terpyridine)chloropalladium(II)]saccharinate dihydrate

Conditions
ConditionsYield
In water silid metal complex dissolved in H2O at 60°C, treated with 1 equiv. of Na saccharinate dihydrate (2 equiv.), stirred at 60°C for 30 min; treated with EtOH, crystd. at room temp. for 3 d, elem. anal.;95%

[(2,2':6',2''-terpyridine)chloropalladium(II)]chloride dihydrate

7732-18-5

water

6155-57-3

sodium saccharinate dihydrate

silver nitrate

[(2,2':6',2''-terpyridine)(saccharinate)palladium(II)]saccharinate - water (1/2.5)

Conditions
ConditionsYield
In water byproducts: AgCl; silid metal complex and solid AgNO3 (1:2) added to H2O, refluxed for 6 h, AgCl filtered (celite), concd., treated with Na saccharinate dihydrate(2 equiv.), stirred at 60°C for 30 min; mixed with EtOH, crystd. at room temp. for 2 d, elem. anal.;94.4%
109-08-0

2-Methylpyrazine

7732-18-5

water

6155-57-3

sodium saccharinate dihydrate

silver nitrate

Ag4(saccharinate)4(2-methylpyrazine)2(H2O)2

Conditions
ConditionsYield
In water; acetonitrile solid Na(sac)*2H2O mixed with 1 equiv. of AgNO3 in H2O, pptd., dissolvedin CH3CN, treated with 1 equiv. of 2-methylpyrazine, stirred at room te mp. for 30 min; crystd. at room temp. in the dakness for 2 d, elem. anal.;94%
7154-73-6

1-(2-aminoethyl)pyrrolidine

6155-57-3

sodium saccharinate dihydrate

silver nitrate

[Ag2(saccharate)2(N-(2-aminoethyl)pyrrolidine)2]

Conditions
ConditionsYield
In water; isopropyl alcohol a soln. of Na-saccharate in water was mixed with AgNO3 in water-2-propanol (1:3) with stirring, pyrrolidine-compound was added, the mixt. was stirred for 30 min at room temp.; allowed to stand in darkness at room temp. for 4 days; elem. anal.;93%
288-32-4

1H-imidazole

6155-57-3

sodium saccharinate dihydrate

silver nitrate

[Ag(saccharinate)(imidazole)]*2H2O

Conditions
ConditionsYield
In water; isopropyl alcohol; acetonitrile aq. soln. of Na salt mixed with soln. of AgNO3 in H2O-i-PrOH (1:3) with stirring, ppt. dissolved in MeCN and N compd. added; evapd. slowly in dark at room temp. for 2 d; elem.anal;93%

S,S'-diphenylsulfimide monohydrate

6155-57-3

sodium saccharinate dihydrate

silver nitrate

930301-72-7

Ag(saccharinato)(S,S-diphenylsulfimide)

Conditions
ConditionsYield
In dichloromethane; water Na-salt mixed with soln. of AgNO3 in H2O, ppt. dissolved in CH2Cl2, ligand added, stirred for 30 min at room temp., allowed to stand in darknessat room temp. for 2 wk; elem. anal.;89%
6155-57-3

sodium saccharinate dihydrate

7646-85-7

zinc(II) chloride

tetraaquabis(saccharinato)zinc(II) dihydrate

Conditions
ConditionsYield
In water under N2, C7H4NO3SNa*2H2O in water was added to aq. soln. of ZnCl2 (molar ratio 2.25:1) with stirring; cooled to 0°C for 1 h, filtered, washed with cold water, dried;88%
14872-20-9, 15227-47-1, 14052-12-1

trans dichlorobispyridine palladium (II)

6155-57-3

sodium saccharinate dihydrate

1318240-28-6

trans-Pd(1,1-dioxo-1,2-benzothiazol-3-one(1-))2(pyridine)2

Conditions
ConditionsYield
With AgNO3 In water byproducts: AgCl; AgNO3 added to suspn. of Pd-complex in H2O, refluxed for 6 h, cooled to room temp., filtered, filtrate concd., Na-salt added, stirred at 60°C for 30 min, stirred at 60°C for 1 h, cooled to room temp.; filtered, recrystd. from DMSO; elem. anal.;88%
19535-47-8

dipyridil[3,2-a:2',3'-c]phenazine

copper(II) perchlorate hexahydrate

6155-57-3

sodium saccharinate dihydrate

[Cu(dipyrido[3,2-a:2′,3′-c]phenazine)2(saccharinate)]ClO4

Conditions
ConditionsYield
Stage #1: copper(II) perchlorate hexahydrate; sodium saccharinate dihydrate In methanol for 2h;
Stage #2: dipyridil[3,2-a:2',3'-c]phenazine In methanol at 60℃; for 4h;		88%

Saccharin sodium dihydrate Safety Profile

.

Saccharin sodium dihydrate Specification

 The Saccharin sodium dihydrate, with the CAS registry number 6155-57-3,is also known as Sodium ortho-sulphobenzimide dihydrate. It belongs to the product categories of pharmacetical;Food & Flavor Additives.This chemical's molecular formula is C7H4NNaO3S.2(H2O) and molecular weight is 241.19. What's more,Its systematic name is 1,2-Benzisothiazol-3(2H)-one,1,1-dioxide,sodium salt,dihydrate.It is Harmful if swallowed.

Physical properties about Pseudoephedrine sulfate are:
(1)ACD/LogP:  0.464; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  -2.98; (4)ACD/LogD (pH 7.4):  -3.04; (5)ACD/BCF (pH 5.5):  1.00; (6)ACD/BCF (pH 7.4):  1.00; (7)ACD/KOC (pH 5.5):  1.00; (8)ACD/KOC (pH 7.4):  1.00; (9)#H bond acceptors:  4; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  0; (12)Polar Surface Area:  75.11 ?2; (13)Flash Point:  219.3 °C; (14)Enthalpy of Vaporization:  73.34 kJ/mol ; (15)Boiling Point:  438.9 °C at 760 mmHg; (16)Vapour Pressure:  1.77E-08 mmHg at 25°C .

You can still convert the following datas into molecular structure:
(1)SMILES:[Na+].[O-]/C2=N/S(=O)(=O)c1ccccc12.O.O;
(2)Std. InChI:InChI=1S/C7H5NO3S.Na.2H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;/h1-4H,(H,8,9);;2*1H2/q;+1;;/p-1;
(3)Std. InChIKey:AYGJDUHQRFKLBG-UHFFFAOYSA-M.

The toxicity data of Saccharin sodium dihydrate are as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 2500mg/kg (2500mg/kg)   FAO Nutrition Meetings Report Series. Vol. 44A, Pg. 105, 1967.
mouse LD50 intraperitoneal 17500mg/kg (17500mg/kg)   FAO Nutrition Meetings Report Series. Vol. 44A, Pg. 105, 1967.
rabbit LDLo oral 5gm/kg (5000mg/kg)   FAO Nutrition Meetings Report Series. Vol. 44A, Pg. 105, 1967.

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