Product Name

  • Name

    Saccharin sodium dihydrate

  • EINECS 204-886-1
  • CAS No. 6155-57-3
  • Density
  • 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
  • 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);
  • PSA 90.08000
  • LogP 1.51220

Synthetic route

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

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

water
7732-18-5

water

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

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

[(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

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

water
7732-18-5

water

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

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

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

water
7732-18-5

water

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

silver nitrate

silver nitrate

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

[(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%
2-Methylpyrazine
109-08-0

2-Methylpyrazine

water
7732-18-5

water

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

silver nitrate

silver nitrate

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

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%
1-(2-aminoethyl)pyrrolidine
7154-73-6

1-(2-aminoethyl)pyrrolidine

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

silver nitrate

silver nitrate

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

[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%
1H-imidazole
288-32-4

1H-imidazole

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

silver nitrate

silver nitrate

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

[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

S,S'-diphenylsulfimide monohydrate

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

silver nitrate

silver nitrate

Ag(saccharinato)(S,S-diphenylsulfimide)
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%
sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

zinc(II) chloride
7646-85-7

zinc(II) chloride

tetraaquabis(saccharinato)zinc(II) dihydrate

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%
trans dichlorobispyridine palladium (II)
14872-20-9, 15227-47-1, 14052-12-1

trans dichlorobispyridine palladium (II)

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

trans-Pd(1,1-dioxo-1,2-benzothiazol-3-one(1-))2(pyridine)2
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%
dipyridil[3,2-a:2',3'-c]phenazine
19535-47-8

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

copper(II) perchlorate hexahydrate

copper(II) perchlorate hexahydrate

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

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

[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%
NH-pyrazole
288-13-1

NH-pyrazole

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

silver nitrate

silver nitrate

[Ag(saccharinate)(pyrazole)(H2O)]n
917837-18-4

[Ag(saccharinate)(pyrazole)(H2O)]n

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; allowed to stand in dark at room temp. for 2 d; elem.anal;87%
2-(aminoethyl)pyridine
2706-56-1

2-(aminoethyl)pyridine

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

silver nitrate

silver nitrate

bis(2-(2-aminoethyl)pyridine)bis(saccharinato)disilver(I)
881006-83-3

bis(2-(2-aminoethyl)pyridine)bis(saccharinato)disilver(I)

Conditions
ConditionsYield
In water; isopropyl alcohol 1 equiv. of NA-salt was dissolved in H2O and added to AgNO3 in H2O-iPrOH=1:3, v/v, mixt., 1 equiv. of amine was added, stirring at room temp. for 30 min; mixt. was allowed to stand in darkness at room temp. for a week, elem. anal.;87%
1-piperidinoethanol
3040-44-6

1-piperidinoethanol

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

silver nitrate

silver nitrate

Ag(saccharinate)(N-(2-hydroxyethylethyl)piperidine)
1130870-85-7

Ag(saccharinate)(N-(2-hydroxyethylethyl)piperidine)

Conditions
ConditionsYield
In water; acetonitrile 1 equiv. of Na-salt in H2O to aq. AgNO3 soln., MeCN was added until dissoln., 1 equiv. of piperidine-compd. was added; mixt. was allowed to stand at room temp. in the darkness for 2 d, elem. anal.;87%
sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

silver nitrate

silver nitrate

2,5-bis(2-pyridyl)-3,4-diaza-2,4-hexadiene

2,5-bis(2-pyridyl)-3,4-diaza-2,4-hexadiene

[Ag2(saccharinato)2(1,2-bis[1-(pyridin-2-yl)ethylidene]hydrazine)]
1226813-78-0

[Ag2(saccharinato)2(1,2-bis[1-(pyridin-2-yl)ethylidene]hydrazine)]

Conditions
ConditionsYield
In further solvent(s) an aq. soln. of Na salt added to an aq. soln. of AgNO3, MeCN added, a MeOH soln. of ligand added dropwise, MeCN and i-PrOH added; crystd. in darkness at room temp. for 1 wk; elem. anal.;87%
2-[(dimethylamino)methyl]pyridin-3-ol
2168-13-0

2-[(dimethylamino)methyl]pyridin-3-ol

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

silver nitrate

silver nitrate

[Ag(saccharate)(2-(dimethylaminomethyl)-3-hydroxypyridine)]
911321-27-2

[Ag(saccharate)(2-(dimethylaminomethyl)-3-hydroxypyridine)]

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, pyridine-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.;86%
1,4-bis(2-hydroxyethyl)piperazine
122-96-3

1,4-bis(2-hydroxyethyl)piperazine

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

silver nitrate

silver nitrate

[Ag(μ-saccharinato)(μ-N,N'-bis(2-hydroxyethyl)piperazine)](n)

[Ag(μ-saccharinato)(μ-N,N'-bis(2-hydroxyethyl)piperazine)](n)

Conditions
ConditionsYield
In water; isopropyl alcohol Na salt added to a soln. of AgNO3 in H2O and isopropanol, an aq. soln. of HOC2H4N(C2H4)2NC2H4OH added dropwise; crystd. for 4 d in the dark at room temp.; elem. anal.;86%
cis-dichloro(2,2'-dipyridylamine)palladium(II)
111693-13-1

cis-dichloro(2,2'-dipyridylamine)palladium(II)

water
7732-18-5

water

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

cis-[Pd(2,2'-dipyridylamine)(saccharinate)2]*H2O
1245815-85-3

cis-[Pd(2,2'-dipyridylamine)(saccharinate)2]*H2O

Conditions
ConditionsYield
With AgNO3 In water byproducts: AgCl; AgNO3 (1 mmol) added to aq. suspn. of PdCl2(dpya) (0.5 mmol), refluxed for 6 h, cooled to room temp., AgCl filtered off, concd., Na(sac)*2H2O (1mmol) added, mixt. stirred at 60°C for 30 min; ppt. filtered off, recrystd. (H2O/DMF=1/1), elem. anal.;86%
(2-aminomethylpyridine)
3731-51-9

(2-aminomethylpyridine)

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

silver nitrate

silver nitrate

2-(aminomethyl)pyridinesaccharinatosilver(I)
881006-82-2

2-(aminomethyl)pyridinesaccharinatosilver(I)

Conditions
ConditionsYield
In water; isopropyl alcohol 1 equiv. of NA-salt was dissolved in H2O and added to AgNO3 in H2O-iPrOH=1:3, v/v, mixt., 1 equiv. of amine was added, stirring at room temp. for 30 min; mixt. was allowed to stand in darkness at room temp. for a week, elem. anal.;85%
sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

silver nitrate

silver nitrate

N,N-dimethylethylenediamine
108-00-9

N,N-dimethylethylenediamine

bis(N,N-dimethylethylenediamine)bis(saccharinato)disilver(I)

bis(N,N-dimethylethylenediamine)bis(saccharinato)disilver(I)

Conditions
ConditionsYield
In water; isopropyl alcohol Na salt added to soln. of AgNO3 in H2O-iPrOH (1:3), diamine added to suspn.; evapd. slowly at room temp., stand for 2 wk; elem. anal.;85%
di(pyridin-2-yl)amine
1202-34-2

di(pyridin-2-yl)amine

cis-dichloro(2,2'-dipyridylamine)palladium(II)
111693-13-1

cis-dichloro(2,2'-dipyridylamine)palladium(II)

water
7732-18-5

water

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

[Pd(2,2'-dipyridylamine)]2[saccharinate]2*2H2O

[Pd(2,2'-dipyridylamine)]2[saccharinate]2*2H2O

Conditions
ConditionsYield
In methanol; water aq. suspn. of PdCl2(dpya) (0.5 mmol) mixed with MeOH soln. of ligand (1 mmol), refluxed overnight, cooled to room temp., filtered, aq. soln. of Na(sac)*2H2O (1 mmol) added, mixt. stirred at 60°C for 2 h; concd., crystd. in 1 d, elem. anal.;85%
chloro(bis(2-pyridylmethyl)amine)palladium(II) chloride monohydrate
439120-09-9

chloro(bis(2-pyridylmethyl)amine)palladium(II) chloride monohydrate

sodium saccharinate dihydrate
6155-57-3

sodium saccharinate dihydrate

[Pd(bis(2-pyridylmethyl)amine)(saccharinato)](saccharinate)*2H2O

[Pd(bis(2-pyridylmethyl)amine)(saccharinato)](saccharinate)*2H2O

Conditions
ConditionsYield
With AgNO3 In water byproducts: AgCl; Pd-complex and solid AgNO3 were added to water and set to reflux for 6 h, AgCl was filtered, the filtrate was concd. and Na-saccharate was added, stirred at 60°C for 30 min; stand for 1 d; elem. anal.;85%

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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